2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene

C20H34O — CID 143716629

IUPAC2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene
SMILESCCCC1CCCCCCCC(CCC)C2=C1C=CCO2
InChIInChI=1S/C20H34O/c1-3-11-17-13-8-6-5-7-9-14-18(12-4-2)20-19(17)15-10-16-21-20/h10,15,17-18H,3-9,11-14,16H2,1-2H3
InChIKeyCDSLEJMGYNHZTL-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.40
Rot. Bonds4

About 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene

2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene (PubChem CID 143716629) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene.

Molecular Properties

Compound Name2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene
PubChem CID143716629
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene
SMILESCCCC1CCCCCCCC(CCC)C2=C1C=CCO2
InChIInChI=1S/C20H34O/c1-3-11-17-13-8-6-5-7-9-14-18(12-4-2)20-19(17)15-10-16-21-20/h10,15,17-18H,3-9,11-14,16H2,1-2H3
InChIKeyCDSLEJMGYNHZTL-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene 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 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
The IUPAC name of 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene (CID 143716629) is 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene.
What is the SMILES notation for 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
The canonical SMILES for 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene is CCCC1CCCCCCCC(CCC)C2=C1C=CCO2.
What is the InChIKey of 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
The InChIKey is CDSLEJMGYNHZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-3-11-17-13-8-6-5-7-9-14-18(12-4-2)20-19(17)15-10-16-21-20/h10,15,17-18H,3-9,11-14,16H2,1-2H3.
What are the key properties of 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene has a molecular weight of 290.49 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dipropyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene is sourced from PubChem (CID 143716629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).