2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol

C12H20O — CID 174938123

IUPAC2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol
SMILESC=C1CC(O)C(C)C2CC(C)CC12
InChIInChI=1S/C12H20O/c1-7-4-10-8(2)6-12(13)9(3)11(10)5-7/h7,9-13H,2,4-6H2,1,3H3
InChIKeyKYZKSSAOIZABQO-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.61
Rot. Bonds

About 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol

2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol (PubChem CID 174938123) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol.

Molecular Properties

Compound Name2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol
PubChem CID174938123
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol
SMILESC=C1CC(O)C(C)C2CC(C)CC12
InChIInChI=1S/C12H20O/c1-7-4-10-8(2)6-12(13)9(3)11(10)5-7/h7,9-13H,2,4-6H2,1,3H3
InChIKeyKYZKSSAOIZABQO-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
CID 134852734
(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol
CID 135013318
2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
1,3,5-trimethyl-2-methylidenecyclohexane
CID 58661247
(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 102076041
(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985
(3S,3aR,4S,6aR,8S,9R,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 162992585
(1R,1aR,4aS,6R,7aR,7bS)-1,6-dimethyl-4-methylidene-1-propyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 162835435
(3R,3aR,4S,6aR,8S,9S,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 162992582
1,3-bis(ethenyl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162270602
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol?
The IUPAC name of 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol (CID 174938123) is 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol.
What is the SMILES notation for 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol?
The canonical SMILES for 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol is C=C1CC(O)C(C)C2CC(C)CC12.
What is the InChIKey of 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol?
The InChIKey is KYZKSSAOIZABQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-7-4-10-8(2)6-12(13)9(3)11(10)5-7/h7,9-13H,2,4-6H2,1,3H3.
What are the key properties of 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol?
2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol has a molecular weight of 180.29 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol is sourced from PubChem (CID 174938123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).