13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one

C20H30O2 — CID 162819470

IUPAC13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one
SMILESCC1C(=O)C2CC1(O)CC1=C2C2(C)CCCC(C)(C)C2CC1
InChIInChI=1S/C20H30O2/c1-12-17(21)14-11-20(12,22)10-13-6-7-15-18(2,3)8-5-9-19(15,4)16(13)14/h12,14-15,22H,5-11H2,1-4H3
InChIKeyATPDASPSNNPCMV-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.27
Rot. Bonds

About 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one

13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one (PubChem CID 162819470) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one.

Molecular Properties

Compound Name13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one
PubChem CID162819470
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one
SMILESCC1C(=O)C2CC1(O)CC1=C2C2(C)CCCC(C)(C)C2CC1
InChIInChI=1S/C20H30O2/c1-12-17(21)14-11-20(12,22)10-13-6-7-15-18(2,3)8-5-9-19(15,4)16(13)14/h12,14-15,22H,5-11H2,1-4H3
InChIKeyATPDASPSNNPCMV-UHFFFAOYSA-N
XLogP4.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-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,3R,8R,13R,16S)-16-hydroxy-3,7,7-trimethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one
CID 134954455
1-hydroxy-6,6,9a-trimethyl-1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalen-3-one
CID 22967436
(4aS,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 11041651
(8aS)-5,5,8a-trimethyl-1-methylidene-3,4,4a,6,7,8-hexahydronaphthalen-2-one
CID 10703503
(1Z,4aS,8aS)-1-(hydroxymethylidene)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-one
CID 10489226
2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)propan-2-ol
CID 162873139
(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-1,3-dione
CID 10911884
(4aR,8aR)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
CID 40561664
(4aR,12bR)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo[a]anthracene-8,11-diol
CID 11347494
(4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-diol
CID 24746671
1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol
CID 71577459
2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol
CID 162990965

Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one?
The IUPAC name of 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one (CID 162819470) is 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one.
What is the SMILES notation for 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one?
The canonical SMILES for 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one is CC1C(=O)C2CC1(O)CC1=C2C2(C)CCCC(C)(C)C2CC1.
What is the InChIKey of 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one?
The InChIKey is ATPDASPSNNPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-12-17(21)14-11-20(12,22)10-13-6-7-15-18(2,3)8-5-9-19(15,4)16(13)14/h12,14-15,22H,5-11H2,1-4H3.
What are the key properties of 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one?
13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one has a molecular weight of 302.46 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-3,7,7,14-tetramethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one is sourced from PubChem (CID 162819470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).