7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol

C11H18O2 — CID 130150650

IUPAC7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
SMILESCC1=CC(O)C2CCCC2(CO)C1
InChIInChI=1S/C11H18O2/c1-8-5-10(13)9-3-2-4-11(9,6-8)7-12/h5,9-10,12-13H,2-4,6-7H2,1H3
InChIKeyNCOTVYXSTXVGRK-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.48
Rot. Bonds1

About 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol

7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol (PubChem CID 130150650) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol.

Molecular Properties

Compound Name7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
PubChem CID130150650
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
SMILESCC1=CC(O)C2CCCC2(CO)C1
InChIInChI=1S/C11H18O2/c1-8-5-10(13)9-3-2-4-11(9,6-8)7-12/h5,9-10,12-13H,2-4,6-7H2,1H3
InChIKeyNCOTVYXSTXVGRK-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Echinocidin B
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2,10-Bisaboladiene-1,4-diol
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(1R,3aR,5S,8aS)-6-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol
CID 46211176

Frequently Asked Questions

What is the IUPAC name of 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
The IUPAC name of 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol (CID 130150650) is 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol.
What is the SMILES notation for 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
The canonical SMILES for 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol is CC1=CC(O)C2CCCC2(CO)C1.
What is the InChIKey of 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
The InChIKey is NCOTVYXSTXVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-10(13)9-3-2-4-11(9,6-8)7-12/h5,9-10,12-13H,2-4,6-7H2,1H3.
What are the key properties of 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol has a molecular weight of 182.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(hydroxymethyl)-6-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol is sourced from PubChem (CID 130150650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).