(10Z,12E)-pentadeca-10,12,14-trien-2-one

C15H24O — CID 90453411

IUPAC(10Z,12E)-pentadeca-10,12,14-trien-2-one
SMILESC=C/C=C/C=C\CCCCCCCC(C)=O
InChIInChI=1S/C15H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-7H,1,8-14H2,2H3/b5-4+,7-6-
InChIKeyCXRCLLBYUDUYHB-DEQVHDEQSA-N
MW220.36 g/mol
LogP4.60
Rot. Bonds10

About (10Z,12E)-pentadeca-10,12,14-trien-2-one

(10Z,12E)-pentadeca-10,12,14-trien-2-one (PubChem CID 90453411) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (10Z,12E)-pentadeca-10,12,14-trien-2-one.

Molecular Properties

Compound Name(10Z,12E)-pentadeca-10,12,14-trien-2-one
PubChem CID90453411
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(10Z,12E)-pentadeca-10,12,14-trien-2-one
SMILESC=C/C=C/C=C\CCCCCCCC(C)=O
InChIInChI=1S/C15H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-7H,1,8-14H2,2H3/b5-4+,7-6-
InChIKeyCXRCLLBYUDUYHB-DEQVHDEQSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(13E,15E)-octadeca-13,15,17-trienoic acid
CID 87408456
(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
CID 90307096
(11E)-trideca-9,11-dien-2-one
CID 161147257
nonadeca-9,11-dien-2-one
CID 76564066
nonadeca-11,13-dien-2-one
CID 72744637
hexadec-8-ene-2,15-dione
CID 91429732
nonadeca-1,3,5,7,10,12-hexaen-9-one
CID 90034448
(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
CID 22957036
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
tetradeca-9,11,13-trien-1-ol
CID 71341852
octadeca-1,3,5,7,9,11-hexaene
CID 90906281

Frequently Asked Questions

What is the IUPAC name of (10Z,12E)-pentadeca-10,12,14-trien-2-one?
The IUPAC name of (10Z,12E)-pentadeca-10,12,14-trien-2-one (CID 90453411) is (10Z,12E)-pentadeca-10,12,14-trien-2-one.
What is the SMILES notation for (10Z,12E)-pentadeca-10,12,14-trien-2-one?
The canonical SMILES for (10Z,12E)-pentadeca-10,12,14-trien-2-one is C=C/C=C/C=C\CCCCCCCC(C)=O.
What is the InChIKey of (10Z,12E)-pentadeca-10,12,14-trien-2-one?
The InChIKey is CXRCLLBYUDUYHB-DEQVHDEQSA-N. The full InChI is InChI=1S/C15H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-7H,1,8-14H2,2H3/b5-4+,7-6-.
What are the key properties of (10Z,12E)-pentadeca-10,12,14-trien-2-one?
(10Z,12E)-pentadeca-10,12,14-trien-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12E)-pentadeca-10,12,14-trien-2-one is sourced from PubChem (CID 90453411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).