(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one

C16H20O2 — CID 134974040

IUPAC(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one
SMILESC[C@H]1C(=O)C=C[C@H](O)[C@@H]2[C@@H]3C[C@H]([C@@H]4C=CC[C@@H]43)[C@@H]21
InChIInChI=1S/C16H20O2/c1-8-13(17)5-6-14(18)16-12-7-11(15(8)16)9-3-2-4-10(9)12/h2-3,5-6,8-12,14-16,18H,4,7H2,1H3/t8-,9+,10-,11+,12+,14-,15-,16-/m0/s1
InChIKeyMEUTWVZLBHGQBK-DHESPEQMSA-N
MW244.33 g/mol
LogP2.20
Rot. Bonds

About (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one

(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one (PubChem CID 134974040) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one.

Molecular Properties

Compound Name(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one
PubChem CID134974040
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one
SMILESC[C@H]1C(=O)C=C[C@H](O)[C@@H]2[C@@H]3C[C@H]([C@@H]4C=CC[C@@H]43)[C@@H]21
InChIInChI=1S/C16H20O2/c1-8-13(17)5-6-14(18)16-12-7-11(15(8)16)9-3-2-4-10(9)12/h2-3,5-6,8-12,14-16,18H,4,7H2,1H3/t8-,9+,10-,11+,12+,14-,15-,16-/m0/s1
InChIKeyMEUTWVZLBHGQBK-DHESPEQMSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-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

(1R,2R,3R,7S,8S,9R,10R,14R)-3-hydroxy-7-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,11-dien-4-one
CID 134973962
(1R,2S,3R,5R,6S,7R,8R,9R,10R,14R)-6,7-dihydroxy-3,5-dimethyltetracyclo[7.5.1.02,8.010,14]pentadec-12-en-4-one
CID 134974289
(1S,3aS,4R,6R,8aR)-6-hydroxy-1,5,5,8a-tetramethyl-1,2,3,3a,4,5,6,8a-octahydro-1,4-methanoazulen-9-one
CID 162623229
10-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-prop-1-en-2-yl-2,3,4,5,6,10,10a,10b-octahydro-1H-cyclohepta[e]inden-7-one
CID 73809331
10-hydroxy-3a,5a,8-trimethyl-1-prop-1-en-2-yl-2,3,4,5,6,10,10a,10b-octahydro-1H-cyclohepta[e]inden-7-one
CID 73818178
(1S,2S,6R,7R)-5-(1-hydroxybutyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 100990300
(1S,3aS,5aR,10R,10aS,10bS)-10-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-prop-1-en-2-yl-2,3,4,5,6,10,10a,10b-octahydro-1H-cyclohepta[e]inden-7-one
CID 163060418
(1R,2S,4S)-4-[(E,1S)-1-hydroxyoct-2-enyl]-5-prop-2-enyltricyclo[5.2.1.02,6]decan-3-one
CID 155765654
methane;(1S,2R,3S,6S,7R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol;tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 157642141
(1S,2R,3S,6S,7R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol;(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 159189094
(1S,2R,3S,6S,7R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol;tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 159189095
(1S,2R,6S,7S,9R,10S,13R)-13-hydroxytetracyclo[7.4.0.02,7.06,10]trideca-4,11-dien-3-one
CID 10703287

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one?
The IUPAC name of (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one (CID 134974040) is (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one.
What is the SMILES notation for (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one?
The canonical SMILES for (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one is C[C@H]1C(=O)C=C[C@H](O)[C@@H]2[C@@H]3C[C@H]([C@@H]4C=CC[C@@H]43)[C@@H]21.
What is the InChIKey of (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one?
The InChIKey is MEUTWVZLBHGQBK-DHESPEQMSA-N. The full InChI is InChI=1S/C16H20O2/c1-8-13(17)5-6-14(18)16-12-7-11(15(8)16)9-3-2-4-10(9)12/h2-3,5-6,8-12,14-16,18H,4,7H2,1H3/t8-,9+,10-,11+,12+,14-,15-,16-/m0/s1.
What are the key properties of (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one?
(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one has a molecular weight of 244.33 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one is sourced from PubChem (CID 134974040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).