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

C21H36O — CID 143716392

IUPAC10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene
SMILESCCCCC1CCCCCCCC(CCC)C2=C1OCC=C2
InChIInChI=1S/C21H36O/c1-3-5-13-19-15-10-8-6-7-9-14-18(12-4-2)20-16-11-17-22-21(19)20/h11,16,18-19H,3-10,12-15,17H2,1-2H3
InChIKeyFCGQWGXJLLPGIO-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.79
Rot. Bonds5

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

10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene (PubChem CID 143716392) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene.

Molecular Properties

Compound Name10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene
PubChem CID143716392
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene
SMILESCCCCC1CCCCCCCC(CCC)C2=C1OCC=C2
InChIInChI=1S/C21H36O/c1-3-5-13-19-15-10-8-6-7-9-14-18(12-4-2)20-16-11-17-22-21(19)20/h11,16,18-19H,3-10,12-15,17H2,1-2H3
InChIKeyFCGQWGXJLLPGIO-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89247366
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CID 89247368
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CID 89247378
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CID 91145242
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CID 91564294
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CID 118018328
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CID 118018547
CID 118018547

Frequently Asked Questions

What is the IUPAC name of 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
The IUPAC name of 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene (CID 143716392) is 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene.
What is the SMILES notation for 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
The canonical SMILES for 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene is CCCCC1CCCCCCCC(CCC)C2=C1OCC=C2.
What is the InChIKey of 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
The InChIKey is FCGQWGXJLLPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-3-5-13-19-15-10-8-6-7-9-14-18(12-4-2)20-16-11-17-22-21(19)20/h11,16,18-19H,3-10,12-15,17H2,1-2H3.
What are the key properties of 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene?
10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene has a molecular weight of 304.52 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-2-propyl-12-oxabicyclo[9.4.0]pentadeca-1(11),14-diene is sourced from PubChem (CID 143716392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).