2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol

C12H24OS — CID 147669338

IUPAC2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol
SMILESCS(C)(C)C1CC2CCCCC2C1O
InChIInChI=1S/C12H24OS/c1-14(2,3)11-8-9-6-4-5-7-10(9)12(11)13/h9-13H,4-8H2,1-3H3
InChIKeyGMXRCNUJKOPUJV-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.62
Rot. Bonds1

About 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol

2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol (PubChem CID 147669338) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol
PubChem CID147669338
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol
SMILESCS(C)(C)C1CC2CCCCC2C1O
InChIInChI=1S/C12H24OS/c1-14(2,3)11-8-9-6-4-5-7-10(9)12(11)13/h9-13H,4-8H2,1-3H3
InChIKeyGMXRCNUJKOPUJV-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol with MolForge

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Related Compounds

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2-cyclohexyl-5-cyclopentylcyclopentan-1-ol
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1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 57184161
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-ol
CID 71775317
2-(3-hydroxycyclohexyl)cyclohexan-1-ol
CID 139824914
(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
CID 170528023
9-chloro-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;ethane
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2-(4-hydroxy-3-methylcyclohexyl)-6-methylcyclohexan-1-ol
CID 139825000
(3R,6R)-6-cyclopentyl-3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-4,5-diol
CID 170527431
[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263

Frequently Asked Questions

What is the IUPAC name of 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol?
The IUPAC name of 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol (CID 147669338) is 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol.
What is the SMILES notation for 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol?
The canonical SMILES for 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol is CS(C)(C)C1CC2CCCCC2C1O.
What is the InChIKey of 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol?
The InChIKey is GMXRCNUJKOPUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-14(2,3)11-8-9-6-4-5-7-10(9)12(11)13/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol?
2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol has a molecular weight of 216.39 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethyl-λ4-sulfanyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol is sourced from PubChem (CID 147669338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).