3-[(3Z)-undeca-3,9-dienyl]oxan-2-one

C16H26O2 — CID 68621986

IUPAC3-[(3Z)-undeca-3,9-dienyl]oxan-2-one
SMILESCC=CCCCC/C=C\CCC1CCCOC1=O
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-18-16(15)17/h2-3,8-9,15H,4-7,10-14H2,1H3/b3-2?,9-8-
InChIKeyNLLVMFIBYWNQPT-CDGGPAPUSA-N
MW250.38 g/mol
LogP4.41
Rot. Bonds8

About 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one

3-[(3Z)-undeca-3,9-dienyl]oxan-2-one (PubChem CID 68621986) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one.

Molecular Properties

Compound Name3-[(3Z)-undeca-3,9-dienyl]oxan-2-one
PubChem CID68621986
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-[(3Z)-undeca-3,9-dienyl]oxan-2-one
SMILESCC=CCCCC/C=C\CCC1CCCOC1=O
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-18-16(15)17/h2-3,8-9,15H,4-7,10-14H2,1H3/b3-2?,9-8-
InChIKeyNLLVMFIBYWNQPT-CDGGPAPUSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-pent-3-enyl]oxan-2-one
CID 87458260
3-butyloxan-2-one;ethane
CID 142135562
3-[(Z)-pent-2-enyl]oxan-2-one
CID 67243802
3-(3-pentoxypropyl)oxan-2-one
CID 143079835
3-[6-(4-ethylphenyl)hexyl]oxan-2-one
CID 21248096
3-[3-(4-butylphenyl)propyl]oxan-2-one
CID 21247976
3-ethyloxepan-2-one
CID 22116783
(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 174922472
3-pent-4-enyloxolan-2-one
CID 139448427
6-but-3-enyl-1,4-dioxecane-5,10-dione
CID 67122890
3-[7-(4-heptylphenyl)heptyl]oxan-2-one
CID 21248001
(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one
CID 163113253

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one?
The IUPAC name of 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one (CID 68621986) is 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one.
What is the SMILES notation for 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one?
The canonical SMILES for 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one is CC=CCCCC/C=C\CCC1CCCOC1=O.
What is the InChIKey of 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one?
The InChIKey is NLLVMFIBYWNQPT-CDGGPAPUSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-18-16(15)17/h2-3,8-9,15H,4-7,10-14H2,1H3/b3-2?,9-8-.
What are the key properties of 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one?
3-[(3Z)-undeca-3,9-dienyl]oxan-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-undeca-3,9-dienyl]oxan-2-one is sourced from PubChem (CID 68621986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).