(1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol

C20H34O3 — CID 14658907

IUPAC(1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol
SMILESCC(C)[C@H]1/C=C/[C@@](C)(O)C/C=C/[C@@]2(C)CC[C@H](O2)[C@](C)(O)CC1
InChIInChI=1S/C20H34O3/c1-15(2)16-7-12-18(3,21)10-6-11-19(4)13-9-17(23-19)20(5,22)14-8-16/h6-7,11-12,15-17,21-22H,8-10,13-14H2,1-5H3/b11-6+,12-7+/t16-,17-,18-,19-,20+/m0/s1
InChIKeyZHPHIMPBIIBNTQ-GLRMEWFYSA-N
MW322.49 g/mol
LogP3.99
Rot. Bonds1

About (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol

(1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol (PubChem CID 14658907) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol.

Molecular Properties

Compound Name(1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol
PubChem CID14658907
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol
SMILESCC(C)[C@H]1/C=C/[C@@](C)(O)C/C=C/[C@@]2(C)CC[C@H](O2)[C@](C)(O)CC1
InChIInChI=1S/C20H34O3/c1-15(2)16-7-12-18(3,21)10-6-11-19(4)13-9-17(23-19)20(5,22)14-8-16/h6-7,11-12,15-17,21-22H,8-10,13-14H2,1-5H3/b11-6+,12-7+/t16-,17-,18-,19-,20+/m0/s1
InChIKeyZHPHIMPBIIBNTQ-GLRMEWFYSA-N
XLogP3.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol 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

(1S,2S,5S,6E,8R,10R,12S)-2,8,12-trimethyl-5-propan-2-yl-10-tri(propan-2-yl)silyloxy-15-oxabicyclo[10.2.1]pentadec-6-ene-2,8-diol
CID 25018687
1-(2-methylprop-1-enyl)-4-propan-2-ylcyclohex-2-en-1-ol
CID 165498443
5,10,16-trimethyl-13-propan-2-yl-4,9,17-trioxatetracyclo[14.1.0.03,5.08,10]heptadec-14-ene
CID 5250430
(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
CID 177427018
(1S,2E,4S,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 11148775
1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 522445
(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 162957245
6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene
CID 14758575
(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 177482395
(7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 161449094
1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 520190
(1S,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol;(1R,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 163472628

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol?
The IUPAC name of (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol (CID 14658907) is (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol.
What is the SMILES notation for (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol?
The canonical SMILES for (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol is CC(C)[C@H]1/C=C/[C@@](C)(O)C/C=C/[C@@]2(C)CC[C@H](O2)[C@](C)(O)CC1.
What is the InChIKey of (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol?
The InChIKey is ZHPHIMPBIIBNTQ-GLRMEWFYSA-N. The full InChI is InChI=1S/C20H34O3/c1-15(2)16-7-12-18(3,21)10-6-11-19(4)13-9-17(23-19)20(5,22)14-8-16/h6-7,11-12,15-17,21-22H,8-10,13-14H2,1-5H3/b11-6+,12-7+/t16-,17-,18-,19-,20+/m0/s1.
What are the key properties of (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol?
(1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol has a molecular weight of 322.49 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6E,8S,10E,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol is sourced from PubChem (CID 14658907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).