6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one

C20H30O3 — CID 14191192

IUPAC6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one
SMILESCC12C=CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C2
InChIInChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3
InChIKeyRFHATUKAQMWSEN-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.10
Rot. Bonds

About 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one

6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one (PubChem CID 14191192) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one.

Molecular Properties

Compound Name6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one
PubChem CID14191192
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one
SMILESCC12C=CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C2
InChIInChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3
InChIKeyRFHATUKAQMWSEN-UHFFFAOYSA-N
XLogP3.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-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

Soyasapogenol E
CID 13632872
phytocassane D
CID 11278519
Phytocassane A
CID 102247148
Siderone
CID 14681633
Camellenodiol
CID 73657088
(3beta,5alpha)-3-Hydroxypregn-16-en-20-one
CID 1775252
Remangilone A
CID 10503181
(-)-Phytocassane D
CID 72781133
Yucalexin B9
CID 291684
3-Hydroxypregn-16-en-20-one
CID 537186
(+)-phytocassane D
CID 10087144
(3S,5R,8R,9R,10R,12R,13R,14R)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13-decahydrocyclopenta[a]phenanthren-15-one
CID 101911914

Frequently Asked Questions

What is the IUPAC name of 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one?
The IUPAC name of 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one (CID 14191192) is 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one.
What is the SMILES notation for 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one?
The canonical SMILES for 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one is CC12C=CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C2.
What is the InChIKey of 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one?
The InChIKey is RFHATUKAQMWSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3.
What are the key properties of 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one?
6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one has a molecular weight of 318.46 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one is sourced from PubChem (CID 14191192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).