(6Z,9Z)-pentadeca-6,9-dien-2-one

C15H26O — CID 6440609

IUPAC(6Z,9Z)-pentadeca-6,9-dien-2-one
SMILESCCCCC/C=C\C/C=C\CCCC(C)=O
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10-
InChIKeyPBWOSGBKOJCBNQ-NQLNTKRDSA-N
MW222.37 g/mol
LogP4.83
Rot. Bonds10

About (6Z,9Z)-pentadeca-6,9-dien-2-one

(6Z,9Z)-pentadeca-6,9-dien-2-one (PubChem CID 6440609) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (6Z,9Z)-pentadeca-6,9-dien-2-one.

Molecular Properties

Compound Name(6Z,9Z)-pentadeca-6,9-dien-2-one
PubChem CID6440609
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(6Z,9Z)-pentadeca-6,9-dien-2-one
SMILESCCCCC/C=C\C/C=C\CCCC(C)=O
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10-
InChIKeyPBWOSGBKOJCBNQ-NQLNTKRDSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Geranylacetone
CID 1549778
2-Octen-4-one
CID 5365891
Nerylacetone
CID 1713001
(Z)-5-Octen-2-one
CID 5352779
2-Nonen-4-one, (2E)-
CID 448996
6,10-Dimethylundeca-5,9-Dien-2-One
CID 19633
Civetone
CID 5315941
(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one
CID 5280436
8-Cyclohexadecen-1-one
CID 6365152
5-Cyclohexadecen-1-one
CID 162268
(8Z)-cyclohexadec-8-en-1-one
CID 5362739
Cyclohexadec-8-en-1-one
CID 534634

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-pentadeca-6,9-dien-2-one?
The IUPAC name of (6Z,9Z)-pentadeca-6,9-dien-2-one (CID 6440609) is (6Z,9Z)-pentadeca-6,9-dien-2-one.
What is the SMILES notation for (6Z,9Z)-pentadeca-6,9-dien-2-one?
The canonical SMILES for (6Z,9Z)-pentadeca-6,9-dien-2-one is CCCCC/C=C\C/C=C\CCCC(C)=O.
What is the InChIKey of (6Z,9Z)-pentadeca-6,9-dien-2-one?
The InChIKey is PBWOSGBKOJCBNQ-NQLNTKRDSA-N. The full InChI is InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10-.
What are the key properties of (6Z,9Z)-pentadeca-6,9-dien-2-one?
(6Z,9Z)-pentadeca-6,9-dien-2-one has a molecular weight of 222.37 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-pentadeca-6,9-dien-2-one is sourced from PubChem (CID 6440609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).