(1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol

C10H16O — CID 11355589

IUPAC(1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol
SMILESC[C@]12CCCC=C1CC[C@@H]2O
InChIInChI=1S/C10H16O/c1-10-7-3-2-4-8(10)5-6-9(10)11/h4,9,11H,2-3,5-7H2,1H3/t9-,10-/m0/s1
InChIKeyFBFDSPVWVAOCKU-UWVGGRQHSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds

About (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol

(1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol (PubChem CID 11355589) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol.

Molecular Properties

Compound Name(1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol
PubChem CID11355589
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol
SMILESC[C@]12CCCC=C1CC[C@@H]2O
InChIInChI=1S/C10H16O/c1-10-7-3-2-4-8(10)5-6-9(10)11/h4,9,11H,2-3,5-7H2,1H3/t9-,10-/m0/s1
InChIKeyFBFDSPVWVAOCKU-UWVGGRQHSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
The IUPAC name of (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol (CID 11355589) is (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol.
What is the SMILES notation for (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
The canonical SMILES for (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol is C[C@]12CCCC=C1CC[C@@H]2O.
What is the InChIKey of (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
The InChIKey is FBFDSPVWVAOCKU-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O/c1-10-7-3-2-4-8(10)5-6-9(10)11/h4,9,11H,2-3,5-7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
(1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol is sourced from PubChem (CID 11355589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).