7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol

C10H16O — CID 72993379

IUPAC7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
SMILESCC12CC=CC(O)C1CCC2
InChIInChI=1S/C10H16O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h3,5,8-9,11H,2,4,6-7H2,1H3
InChIKeyMHPZHGCAXSBRKJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

About 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol

7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol (PubChem CID 72993379) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol.

Molecular Properties

Compound Name7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
PubChem CID72993379
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
SMILESCC12CC=CC(O)C1CCC2
InChIInChI=1S/C10H16O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h3,5,8-9,11H,2,4,6-7H2,1H3
InChIKeyMHPZHGCAXSBRKJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S,9S)-5-methylbicyclo[3.3.1]non-2-en-9-ol
CID 130831174
6a-methyl-2,3,3a,6-tetrahydro-1H-pentalene
CID 145030018
(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 143298757
(1R,4aS,8aR)-4,5,6,7,8,8a-hexahydro-1H-naphthalene-1,4a-diol
CID 130918425
(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene
CID 141236422
(1S,8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-ol
CID 154189774
(3S,7S,8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 141086710
1,5-dimethyltetracyclo[10.3.1.02,10.05,9]hexadec-13-en-16-one
CID 4619766
(5S,8S,9R,10S,13R,14R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 125028116
(7S,8S,9S,10S,13S,14S)-7-bromo-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,1-diol
CID 67768221
(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol
CID 13486535

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
The IUPAC name of 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol (CID 72993379) is 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol.
What is the SMILES notation for 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
The canonical SMILES for 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol is CC12CC=CC(O)C1CCC2.
What is the InChIKey of 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
The InChIKey is MHPZHGCAXSBRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h3,5,8-9,11H,2,4,6-7H2,1H3.
What are the key properties of 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol?
7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol is sourced from PubChem (CID 72993379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).