(E)-nonadec-12-en-9-one

C19H36O — CID 15584258

IUPAC(E)-nonadec-12-en-9-one
SMILESCCCCCC/C=C/CCC(=O)CCCCCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h12,14H,3-11,13,15-18H2,1-2H3/b14-12+
InChIKeyLLUGFFSGUQULMF-WYMLVPIESA-N
MW280.50 g/mol
LogP6.61
Rot. Bonds15

About (E)-nonadec-12-en-9-one

(E)-nonadec-12-en-9-one (PubChem CID 15584258) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (E)-nonadec-12-en-9-one.

Molecular Properties

Compound Name(E)-nonadec-12-en-9-one
PubChem CID15584258
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(E)-nonadec-12-en-9-one
SMILESCCCCCC/C=C/CCC(=O)CCCCCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h12,14H,3-11,13,15-18H2,1-2H3/b14-12+
InChIKeyLLUGFFSGUQULMF-WYMLVPIESA-N
XLogP6.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.61
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

(E)-triacont-15-ene-8,23-dione
CID 11849500
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
hexacosa-17,20-dien-9-one
CID 163047379
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161
hexadec-6-en-3-one
CID 141403796
(12Z,15Z)-henicosa-12,15-dien-4-one
CID 10946721
(Z)-1-chloropentacos-16-en-3-one
CID 162712776
tritriaconta-12,14-dien-5-one
CID 162922965
tetracosa-20,23-dien-10-one
CID 123873281
heptadec-2-en-7-one
CID 54227331
(Z)-hexadec-9-enethioic S-acid
CID 121337660
undec-2-en-6-one;hydrochloride
CID 175086863

Frequently Asked Questions

What is the IUPAC name of (E)-nonadec-12-en-9-one?
The IUPAC name of (E)-nonadec-12-en-9-one (CID 15584258) is (E)-nonadec-12-en-9-one.
What is the SMILES notation for (E)-nonadec-12-en-9-one?
The canonical SMILES for (E)-nonadec-12-en-9-one is CCCCCC/C=C/CCC(=O)CCCCCCCC.
What is the InChIKey of (E)-nonadec-12-en-9-one?
The InChIKey is LLUGFFSGUQULMF-WYMLVPIESA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h12,14H,3-11,13,15-18H2,1-2H3/b14-12+.
What are the key properties of (E)-nonadec-12-en-9-one?
(E)-nonadec-12-en-9-one has a molecular weight of 280.50 g/mol, XLogP of 6.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-nonadec-12-en-9-one is sourced from PubChem (CID 15584258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).