(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one

C18H26O — CID 144676209

IUPAC(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
SMILESO=C1/C=C\C=C/CCCCCC/C=C\C=C/CCC1
InChIInChI=1S/C18H26O/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-18/h4,6,8,10-11,13,15,17H,1-3,5,7,9,12,14,16H2/b6-4-,10-8-,13-11-,17-15-
InChIKeyIXRHCJOSGXRKHJ-TWJMNFJYSA-N
MW258.40 g/mol
LogP5.30
Rot. Bonds

About (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one

(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one (PubChem CID 144676209) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one.

Molecular Properties

Compound Name(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
PubChem CID144676209
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
SMILESO=C1/C=C\C=C/CCCCCC/C=C\C=C/CCC1
InChIInChI=1S/C18H26O/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-18/h4,6,8,10-11,13,15,17H,1-3,5,7,9,12,14,16H2/b6-4-,10-8-,13-11-,17-15-
InChIKeyIXRHCJOSGXRKHJ-TWJMNFJYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one
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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one?
The IUPAC name of (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one (CID 144676209) is (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one.
What is the SMILES notation for (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one?
The canonical SMILES for (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one is O=C1/C=C\C=C/CCCCCC/C=C\C=C/CCC1.
What is the InChIKey of (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one?
The InChIKey is IXRHCJOSGXRKHJ-TWJMNFJYSA-N. The full InChI is InChI=1S/C18H26O/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-18/h4,6,8,10-11,13,15,17H,1-3,5,7,9,12,14,16H2/b6-4-,10-8-,13-11-,17-15-.
What are the key properties of (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one?
(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one has a molecular weight of 258.40 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one is sourced from PubChem (CID 144676209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).