(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one

C15H22O — CID 22957036

IUPAC(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
SMILESC=C/C=C/C/C=C/C/C=C/CCCC(C)=O
InChIInChI=1S/C15H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-5,7-8,10-11H,1,6,9,12-14H2,2H3/b5-4+,8-7+,11-10+
InChIKeyIFRMWYPYPANZMC-JSIPCRQOSA-N
MW218.34 g/mol
LogP4.38
Rot. Bonds9

About (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one

(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one (PubChem CID 22957036) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one.

Molecular Properties

Compound Name(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
PubChem CID22957036
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
SMILESC=C/C=C/C/C=C/C/C=C/CCCC(C)=O
InChIInChI=1S/C15H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-5,7-8,10-11H,1,6,9,12-14H2,2H3/b5-4+,8-7+,11-10+
InChIKeyIFRMWYPYPANZMC-JSIPCRQOSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.38
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trideca-5,7,10,12-tetraen-2-one
CID 175909143
(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid
CID 11151306
(10Z,12E)-pentadeca-10,12,14-trien-2-one
CID 90453411
(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
CID 87555668
tetradeca-1,3,9,12-tetraene
CID 174407710
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
(8Z,11Z)-pentadeca-8,11-dien-2-one
CID 25172308
(10Z,13Z,16Z)-icosa-10,13,16-trien-2-one
CID 59917255
(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753
(Z)-non-6-en-2-one
CID 11105450
nonadeca-10,13,16,18-tetraen-1-ol
CID 85304440
hexadec-8-ene-2,15-dione
CID 91429732

Frequently Asked Questions

What is the IUPAC name of (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one?
The IUPAC name of (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one (CID 22957036) is (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one.
What is the SMILES notation for (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one?
The canonical SMILES for (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one is C=C/C=C/C/C=C/C/C=C/CCCC(C)=O.
What is the InChIKey of (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one?
The InChIKey is IFRMWYPYPANZMC-JSIPCRQOSA-N. The full InChI is InChI=1S/C15H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-5,7-8,10-11H,1,6,9,12-14H2,2H3/b5-4+,8-7+,11-10+.
What are the key properties of (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one?
(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one has a molecular weight of 218.34 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one is sourced from PubChem (CID 22957036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).