(5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one

C13H16O2 — CID 135042302

IUPAC(5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one
SMILESCC1=CC23CC=C[C@@H](O)C2CC1CC3=O
InChIInChI=1S/C13H16O2/c1-8-7-13-4-2-3-11(14)10(13)5-9(8)6-12(13)15/h2-3,7,9-11,14H,4-6H2,1H3/t9?,10?,11-,13?/m1/s1
InChIKeyKIGDJOXSQJMPHC-XPOXDWOYSA-N
MW204.27 g/mol
LogP1.85
Rot. Bonds

About (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one

(5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one (PubChem CID 135042302) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one
PubChem CID135042302
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one
SMILESCC1=CC23CC=C[C@@H](O)C2CC1CC3=O
InChIInChI=1S/C13H16O2/c1-8-7-13-4-2-3-11(14)10(13)5-9(8)6-12(13)15/h2-3,7,9-11,14H,4-6H2,1H3/t9?,10?,11-,13?/m1/s1
InChIKeyKIGDJOXSQJMPHC-XPOXDWOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one 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

3beta-Hydroxyandrost-4-en-17-one
CID 9947889
Aspermytin A
CID 9993091
(1S,2R,4aS,9aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1,2,6-trimethyl-3,4a,5,8,9,9a-hexahydro-2H-benzo[7]annulen-4-one
CID 44143718
Oryzalexin B
CID 176496
Nardosinanol G
CID 24854649
Negundoin G
CID 46229332
4-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]butan-2-one
CID 132519888
4beta-Hydroxyandrost-5-en-17-one
CID 23644625
4alpha-Hydroxyandrost-5-en-17-one
CID 23645009
(4R,8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 11033539
(4S,8R,9S,10S,13S,14S)-4-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 53324579
(4R,8R,9S,10S,13S,14S)-4-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
CID 53325332

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one?
The IUPAC name of (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one (CID 135042302) is (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one.
What is the SMILES notation for (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one?
The canonical SMILES for (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one is CC1=CC23CC=C[C@@H](O)C2CC1CC3=O.
What is the InChIKey of (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one?
The InChIKey is KIGDJOXSQJMPHC-XPOXDWOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-7-13-4-2-3-11(14)10(13)5-9(8)6-12(13)15/h2-3,7,9-11,14H,4-6H2,1H3/t9?,10?,11-,13?/m1/s1.
What are the key properties of (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one?
(5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one has a molecular weight of 204.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one is sourced from PubChem (CID 135042302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).