2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol

C13H22O — CID 142088873

IUPAC2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol
SMILESCC1=CCCC2(C)C1CC[C@@H]2CCO
InChIInChI=1S/C13H22O/c1-10-4-3-8-13(2)11(7-9-14)5-6-12(10)13/h4,11-12,14H,3,5-9H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyZOFCVEBBHRTPAG-PNESKVBLSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds2

About 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol

2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol (PubChem CID 142088873) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol
PubChem CID142088873
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol
SMILESCC1=CCCC2(C)C1CC[C@@H]2CCO
InChIInChI=1S/C13H22O/c1-10-4-3-8-13(2)11(7-9-14)5-6-12(10)13/h4,11-12,14H,3,5-9H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyZOFCVEBBHRTPAG-PNESKVBLSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol with MolForge

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Related Compounds

ethane;[1-(2-hydroxyethyl)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl] trifluoromethanesulfonate
CID 142088894
3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol
CID 10655039
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
CID 142091721
(1S)-3-[(E)-2-[(7aR)-1-(5-hydroxy-5-methylhexyl)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-methylcyclohex-2-en-1-ol;propane-1,3-diol
CID 143086971
ethane;(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-en-1-ol
CID 176716265
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol
CID 20547238
6-ethyl-1,5,5-trimethylcyclohexene
CID 143426424
6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dien-1-ol
CID 23424854
[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methanethiol
CID 3085622
2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol
CID 90736483

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol?
The IUPAC name of 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol (CID 142088873) is 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol.
What is the SMILES notation for 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol?
The canonical SMILES for 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol is CC1=CCCC2(C)C1CC[C@@H]2CCO.
What is the InChIKey of 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol?
The InChIKey is ZOFCVEBBHRTPAG-PNESKVBLSA-N. The full InChI is InChI=1S/C13H22O/c1-10-4-3-8-13(2)11(7-9-14)5-6-12(10)13/h4,11-12,14H,3,5-9H2,1-2H3/t11-,12?,13?/m1/s1.
What are the key properties of 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol?
2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol is sourced from PubChem (CID 142088873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).