(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one

C14H22O — CID 91747987

IUPAC(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
SMILESCC/C=C/C/C=C\C/C=C\CCC(C)=O
InChIInChI=1S/C14H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h4-5,7-8,10-11H,3,6,9,12-13H2,1-2H3/b5-4+,8-7-,11-10-
InChIKeyIVCSDEBPVQZWOF-IISVKSLHSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds8

About (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one

(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one (PubChem CID 91747987) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one.

Molecular Properties

Compound Name(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
PubChem CID91747987
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
SMILESCC/C=C/C/C=C\C/C=C\CCC(C)=O
InChIInChI=1S/C14H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h4-5,7-8,10-11H,3,6,9,12-13H2,1-2H3/b5-4+,8-7-,11-10-
InChIKeyIVCSDEBPVQZWOF-IISVKSLHSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 118537232
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849
(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
CID 90126203

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one?
The IUPAC name of (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one (CID 91747987) is (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one.
What is the SMILES notation for (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one?
The canonical SMILES for (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one is CC/C=C/C/C=C\C/C=C\CCC(C)=O.
What is the InChIKey of (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one?
The InChIKey is IVCSDEBPVQZWOF-IISVKSLHSA-N. The full InChI is InChI=1S/C14H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h4-5,7-8,10-11H,3,6,9,12-13H2,1-2H3/b5-4+,8-7-,11-10-.
What are the key properties of (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one?
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one has a molecular weight of 206.33 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one is sourced from PubChem (CID 91747987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).