(1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol

C20H34O3 — CID 46881218

IUPAC(1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol
SMILESC/C1=C\C=C(\C(C)C)CC[C@@]2(C)O[C@H](C1)C[C@@](C)(O)CC[C@@H]2O
InChIInChI=1S/C20H34O3/c1-14(2)16-7-6-15(3)12-17-13-19(4,22)10-9-18(21)20(5,23-17)11-8-16/h6-7,14,17-18,21-22H,8-13H2,1-5H3/b15-6+,16-7+/t17-,18+,19+,20-/m1/s1
InChIKeyLNVSMUYJGPIOHM-GEVZRWGISA-N
MW322.49 g/mol
LogP4.14
Rot. Bonds1

About (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol

(1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol (PubChem CID 46881218) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol.

Molecular Properties

Compound Name(1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol
PubChem CID46881218
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol
SMILESC/C1=C\C=C(\C(C)C)CC[C@@]2(C)O[C@H](C1)C[C@@](C)(O)CC[C@@H]2O
InChIInChI=1S/C20H34O3/c1-14(2)16-7-6-15(3)12-17-13-19(4,22)10-9-18(21)20(5,23-17)11-8-16/h6-7,14,17-18,21-22H,8-13H2,1-5H3/b15-6+,16-7+/t17-,18+,19+,20-/m1/s1
InChIKeyLNVSMUYJGPIOHM-GEVZRWGISA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol 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 (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol?
The IUPAC name of (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol (CID 46881218) is (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol.
What is the SMILES notation for (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol?
The canonical SMILES for (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol is C/C1=C\C=C(\C(C)C)CC[C@@]2(C)O[C@H](C1)C[C@@](C)(O)CC[C@@H]2O.
What is the InChIKey of (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol?
The InChIKey is LNVSMUYJGPIOHM-GEVZRWGISA-N. The full InChI is InChI=1S/C20H34O3/c1-14(2)16-7-6-15(3)12-17-13-19(4,22)10-9-18(21)20(5,23-17)11-8-16/h6-7,14,17-18,21-22H,8-13H2,1-5H3/b15-6+,16-7+/t17-,18+,19+,20-/m1/s1.
What are the key properties of (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol?
(1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol has a molecular weight of 322.49 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,5E,9R,10S,13S)-3,9,13-trimethyl-6-propan-2-yl-15-oxabicyclo[7.5.1]pentadeca-3,5-diene-10,13-diol is sourced from PubChem (CID 46881218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).