(1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol

C20H34O2 — CID 162874041

IUPAC(1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol
SMILESC/C1=C\CC[C@](C)(O)[C@@H]2C=C(C(C)C)C[C@H](O2)[C@H](C)CCC1
InChIInChI=1S/C20H34O2/c1-14(2)17-12-18-16(4)10-6-8-15(3)9-7-11-20(5,21)19(13-17)22-18/h9,13-14,16,18-19,21H,6-8,10-12H2,1-5H3/b15-9+/t16-,18+,19+,20+/m1/s1
InChIKeyQDZJPYHJJWKOGY-QSCOOJRDSA-N
MW306.49 g/mol
LogP5.02
Rot. Bonds1

About (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol

(1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol (PubChem CID 162874041) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol.

Molecular Properties

Compound Name(1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol
PubChem CID162874041
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol
SMILESC/C1=C\CC[C@](C)(O)[C@@H]2C=C(C(C)C)C[C@H](O2)[C@H](C)CCC1
InChIInChI=1S/C20H34O2/c1-14(2)17-12-18-16(4)10-6-8-15(3)9-7-11-20(5,21)19(13-17)22-18/h9,13-14,16,18-19,21H,6-8,10-12H2,1-5H3/b15-9+/t16-,18+,19+,20+/m1/s1
InChIKeyQDZJPYHJJWKOGY-QSCOOJRDSA-N
XLogP5.02
TPSA29.46 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'}

Analyze (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol?
The IUPAC name of (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol (CID 162874041) is (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol.
What is the SMILES notation for (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol?
The canonical SMILES for (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol is C/C1=C\CC[C@](C)(O)[C@@H]2C=C(C(C)C)C[C@H](O2)[C@H](C)CCC1.
What is the InChIKey of (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol?
The InChIKey is QDZJPYHJJWKOGY-QSCOOJRDSA-N. The full InChI is InChI=1S/C20H34O2/c1-14(2)17-12-18-16(4)10-6-8-15(3)9-7-11-20(5,21)19(13-17)22-18/h9,13-14,16,18-19,21H,6-8,10-12H2,1-5H3/b15-9+/t16-,18+,19+,20+/m1/s1.
What are the key properties of (1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol?
(1S,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-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,2S,5E,10R,11S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,13-dien-2-ol is sourced from PubChem (CID 162874041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).