(1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol

C20H34O2 — CID 14137231

IUPAC(1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol
SMILESC/C1=C\CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@]2(C)O[C@H]2CC1
InChIInChI=1S/C20H34O2/c1-15(2)17-10-13-19(4,21)12-6-7-16(3)8-9-18-20(5,22-18)14-11-17/h7,10,13,15,17-18,21H,6,8-9,11-12,14H2,1-5H3/b13-10+,16-7+/t17-,18-,19+,20-/m0/s1
InChIKeyBSKNIQVPQSFUSP-CHCUJSJESA-N
MW306.49 g/mol
LogP5.02
Rot. Bonds1

About (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol

(1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol (PubChem CID 14137231) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol.

Molecular Properties

Compound Name(1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol
PubChem CID14137231
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol
SMILESC/C1=C\CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@]2(C)O[C@H]2CC1
InChIInChI=1S/C20H34O2/c1-15(2)17-10-13-19(4,21)12-6-7-16(3)8-9-18-20(5,22-18)14-11-17/h7,10,13,15,17-18,21H,6,8-9,11-12,14H2,1-5H3/b13-10+,16-7+/t17-,18-,19+,20-/m0/s1
InChIKeyBSKNIQVPQSFUSP-CHCUJSJESA-N
XLogP5.02
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol 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,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-4-yl]methanol
CID 53495361
Knightol
CID 44480981
Asperdiol
CID 5358793
(1S,4R,6R,9E,12R,14S)-4,9,12-trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-ol
CID 164622602
(1S,4S,5E,8R,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,9-diene-4,8-diol
CID 10064750
(1S,4R,5E,8R,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,9-diene-4,8-diol
CID 10471391
Pacificin B
CID 11738798
(1S,5S,8R,9E,11S,14S)-8,14-dimethyl-4-methylidene-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadec-9-ene-5,8-diol
CID 12039041
(1S,3S,4Z,6E,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol
CID 23424635
(1R,4e,6s,7r,10e,14r)-6-hydroxy-10,14-dimethyl-7-(1-methylethenyl)-15-oxabicyclo[12.1.0]pentadeca-4,10-diene-4-methanol
CID 21582588
(1R,3R,4E,8Z,12S,13E)-9-(hydroxymethyl)-1,5-dimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 15674654
[(1S,4E,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-4-yl]methanol
CID 155536410

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol?
The IUPAC name of (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol (CID 14137231) is (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol.
What is the SMILES notation for (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol?
The canonical SMILES for (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol is C/C1=C\CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@]2(C)O[C@H]2CC1.
What is the InChIKey of (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol?
The InChIKey is BSKNIQVPQSFUSP-CHCUJSJESA-N. The full InChI is InChI=1S/C20H34O2/c1-15(2)17-10-13-19(4,21)12-6-7-16(3)8-9-18-20(5,22-18)14-11-17/h7,10,13,15,17-18,21H,6,8-9,11-12,14H2,1-5H3/b13-10+,16-7+/t17-,18-,19+,20-/m0/s1.
What are the key properties of (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol?
(1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol has a molecular weight of 306.49 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5E,7R,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol is sourced from PubChem (CID 14137231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).