(1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one

C20H30O2 — CID 162418275

IUPAC(1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
SMILESCC1=C[C@H]2[C@H](C)C[C@@H](O)[C@]23C(=O)[C@H](C)C[C@@H]2[C@H]([C@@H]3C1)C2(C)C
InChIInChI=1S/C20H30O2/c1-10-6-13-11(2)9-16(21)20(13)15(7-10)17-14(19(17,4)5)8-12(3)18(20)22/h6,11-17,21H,7-9H2,1-5H3/t11-,12-,13+,14-,15+,16-,17-,20+/m1/s1
InChIKeyVCVKSCFVVUKDMY-XVCNSHKYSA-N
MW302.46 g/mol
LogP3.84
Rot. Bonds

About (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one

(1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one (PubChem CID 162418275) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one.

Molecular Properties

Compound Name(1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
PubChem CID162418275
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
SMILESCC1=C[C@H]2[C@H](C)C[C@@H](O)[C@]23C(=O)[C@H](C)C[C@@H]2[C@H]([C@@H]3C1)C2(C)C
InChIInChI=1S/C20H30O2/c1-10-6-13-11(2)9-16(21)20(13)15(7-10)17-14(19(17,4)5)8-12(3)18(20)22/h6,11-17,21H,7-9H2,1-5H3/t11-,12-,13+,14-,15+,16-,17-,20+/m1/s1
InChIKeyVCVKSCFVVUKDMY-XVCNSHKYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-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

15alpha-Hydroxy-14-aldehyde probotryan-4
CID 21778025
(4R,5S)-5-[(1S,1aR,4aR,7S,7aS,7bR)-7-hydroxy-1,7-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-1-yl]-4-hydroxy-2-methylcyclopent-2-en-1-one
CID 76320823
(3S,3aS,5aS,6S,9aR,10aR)-6-hydroxy-5a,9,10a-trimethyl-3-prop-1-en-2-yl-3,3a,4,5,6,7,9a,10-octahydro-2H-benzo[g]azulen-1-one
CID 162882717
(1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one
CID 11414665
(1S,5R,8R,10R,12R,14R)-4,8-dihydroxy-7,11,11,14-tetramethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
CID 134963084
(1R,2R,4R,5R,9S,10R,12R,14S)-4,7,11,11,14-pentamethyl-2-triethylsilyloxytetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one
CID 162418274
(4R,5S,7S,8R,11S)-5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
CID 11253310
1-Hydroxy-4,8-dimethylspiro[4.5]dec-7-en-6-one
CID 71439092
(4R)-5-[(1S,1aR,4aR,7S,7aR,7bR)-7-hydroxy-1,7-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-1-yl]-4-hydroxy-2-methylcyclopent-2-en-1-one
CID 72947027
(5S)-1-[(1R,2R,3aR,6aR)-2-hydroxy-5-(5-hydroxypentyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-5,9-dimethyldec-8-en-1-one
CID 57075511
1-[(1R,2R,3aR,6aR)-2-hydroxy-5-(5-hydroxypentyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-9-methyldec-8-en-1-one
CID 57090891
1-[(1R,2R,3aR,6aR)-2-hydroxy-5-(5-hydroxypentyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-4,4-dimethylnon-8-en-1-one
CID 57151431

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
The IUPAC name of (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one (CID 162418275) is (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one.
What is the SMILES notation for (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
The canonical SMILES for (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one is CC1=C[C@H]2[C@H](C)C[C@@H](O)[C@]23C(=O)[C@H](C)C[C@@H]2[C@H]([C@@H]3C1)C2(C)C.
What is the InChIKey of (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
The InChIKey is VCVKSCFVVUKDMY-XVCNSHKYSA-N. The full InChI is InChI=1S/C20H30O2/c1-10-6-13-11(2)9-16(21)20(13)15(7-10)17-14(19(17,4)5)8-12(3)18(20)22/h6,11-17,21H,7-9H2,1-5H3/t11-,12-,13+,14-,15+,16-,17-,20+/m1/s1.
What are the key properties of (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one?
(1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one has a molecular weight of 302.46 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R,9S,10R,12R,14R)-2-hydroxy-4,7,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,12]pentadec-6-en-15-one is sourced from PubChem (CID 162418275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).