 Home > Encyclopedia > (4S,7aR)-1-[(2S)-6-(Methoxymethoxy)-6-methyl-3-oxo-4-heptyn-2-yl] -7a-methyloctahydro-1H-inden-4-yl benzoate

(4S,7aR)-1-[(2S)-6-(Methoxymethoxy)-6-methyl-3-oxo-4-heptyn-2-yl] -7a-methyloctahydro-1H-inden-4-yl benzoate

(4S,7aR)-1-[(2S)-6-(Methoxymethoxy)-6-methyl-3-oxo-4-heptyn-2-yl] -7a-methyloctahydro-1H-inden-4-yl benzoate structure

CAS No:
100858-21-7
Formula:
C27H36O5
Chemical Name:
(4S,7aR)-1-[(2S)-6-(Methoxymethoxy)-6-methyl-3-oxo-4-heptyn-2-yl] -7a-methyloctahydro-1H-inden-4-yl benzoate
Synonyms:
(7aR)-1-((S)-1-iodopropane-2-yl)-7a-methyloctahydro-1H-inden-4-ol; (1R,3aR,4S,7aR)-octahydro-1-[(S)-1-iodopropan-2-yl]-7a-methyl-1H-inden-4-ol; [1R-[1|A(S*),3a|A,4|A,7a|A]]-Octahydro-1-(2-iodo-1-methylethyl)-7a-methyl-1H-inden-4-ol; (8S,20S)-des-A,B-20-(iodomethyl)pregnan-8-ol; De-A,B-22-iodo-23,24-dinorcholestan-8-ol; (1R,3aR,4S,7aR)-Octahydro-1-[(1S)-2-iodo-1-methylethyl]-7a-methyl-1H-inden-4-ol;Expand

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(4S,7aR)-1-[(2S)-6-(Methoxymethoxy)-6-methyl-3-oxo-4-heptyn-2-yl] -7a-methyloctahydro-1H-inden-4-yl benzoate Basic Attributes

Molecular Weight：

440.57200

Exact Mass：

440.25627424

Characteristics

PSA：

61.83000

XLogP3：

5.03610

Density：

1.12g/cm3

Boiling Point：

521.735ºC at 760 mmHg

Flash Point：

220.602ºC

Refractive Index：

1.539

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:440.6
XLogP3:5.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:440.25627424
Monoisotopic Mass:440.25627424
Topological Polar Surface Area:61.8
Heavy Atom Count:32
Complexity:738
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4S,7aR)-1-[(2S)-6-(Methoxymethoxy)-6-methyl-3-oxo-4-heptyn-2-yl] -7a-methyloctahydro-1H-inden-4-yl benzoate

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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