(8Z,11Z)-pentadeca-8,11-dien-2-one

C15H26O — CID 25172308

IUPAC(8Z,11Z)-pentadeca-8,11-dien-2-one
SMILESCCC/C=C\C/C=C\CCCCCC(C)=O
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h5-6,8-9H,3-4,7,10-14H2,1-2H3/b6-5-,9-8-
InChIKeyHDOQHUXLHUAFCN-AFJQJTPPSA-N
MW222.37 g/mol
LogP4.83
Rot. Bonds10

About (8Z,11Z)-pentadeca-8,11-dien-2-one

(8Z,11Z)-pentadeca-8,11-dien-2-one (PubChem CID 25172308) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (8Z,11Z)-pentadeca-8,11-dien-2-one.

Molecular Properties

Compound Name(8Z,11Z)-pentadeca-8,11-dien-2-one
PubChem CID25172308
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(8Z,11Z)-pentadeca-8,11-dien-2-one
SMILESCCC/C=C\C/C=C\CCCCCC(C)=O
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h5-6,8-9H,3-4,7,10-14H2,1-2H3/b6-5-,9-8-
InChIKeyHDOQHUXLHUAFCN-AFJQJTPPSA-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

(10Z,13Z,16Z)-icosa-10,13,16-trien-2-one
CID 59917255
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
CID 87555668
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-tricos-16-en-2-one
CID 134866400
pentadec-10-en-2-one
CID 71443705
tetratriacont-20-en-2-one
CID 56637991
henicos-9-en-2-one
CID 91100997
hexadec-8-ene-2,15-dione
CID 91429732

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z)-pentadeca-8,11-dien-2-one?
The IUPAC name of (8Z,11Z)-pentadeca-8,11-dien-2-one (CID 25172308) is (8Z,11Z)-pentadeca-8,11-dien-2-one.
What is the SMILES notation for (8Z,11Z)-pentadeca-8,11-dien-2-one?
The canonical SMILES for (8Z,11Z)-pentadeca-8,11-dien-2-one is CCC/C=C\C/C=C\CCCCCC(C)=O.
What is the InChIKey of (8Z,11Z)-pentadeca-8,11-dien-2-one?
The InChIKey is HDOQHUXLHUAFCN-AFJQJTPPSA-N. The full InChI is InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h5-6,8-9H,3-4,7,10-14H2,1-2H3/b6-5-,9-8-.
What are the key properties of (8Z,11Z)-pentadeca-8,11-dien-2-one?
(8Z,11Z)-pentadeca-8,11-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 (8Z,11Z)-pentadeca-8,11-dien-2-one is sourced from PubChem (CID 25172308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).