(11Z,14Z)-octadeca-1,2,11,14-tetraene

C18H30 — CID 157049170

IUPAC(11Z,14Z)-octadeca-1,2,11,14-tetraene
SMILESC=C=CCCCCCCC/C=C\C/C=C\CCC
InChIInChI=1S/C18H30/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,8,10,14,16H,1,4,6-7,9,11-13,15,17-18H2,2H3/b10-8-,16-14-
InChIKeyGVAHUBWYMLBVCP-UDJAPEQQSA-N
MW246.44 g/mol
LogP6.36
Rot. Bonds12

About (11Z,14Z)-octadeca-1,2,11,14-tetraene

(11Z,14Z)-octadeca-1,2,11,14-tetraene (PubChem CID 157049170) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (11Z,14Z)-octadeca-1,2,11,14-tetraene.

Molecular Properties

Compound Name(11Z,14Z)-octadeca-1,2,11,14-tetraene
PubChem CID157049170
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(11Z,14Z)-octadeca-1,2,11,14-tetraene
SMILESC=C=CCCCCCCC/C=C\C/C=C\CCC
InChIInChI=1S/C18H30/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,8,10,14,16H,1,4,6-7,9,11-13,15,17-18H2,2H3/b10-8-,16-14-
InChIKeyGVAHUBWYMLBVCP-UDJAPEQQSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

undeca-1,2,7-triene
CID 174048699
docosa-1,2-diene
CID 90871698
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
docosa-4,7,11-triene
CID 141035180
hexadeca-4,12-diene
CID 71384995
tricosa-4,19-diene
CID 142680711
undeca-1,2,9-triene
CID 140993740
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
heptatriaconta-15,18,19-triene
CID 57100861

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-octadeca-1,2,11,14-tetraene?
The IUPAC name of (11Z,14Z)-octadeca-1,2,11,14-tetraene (CID 157049170) is (11Z,14Z)-octadeca-1,2,11,14-tetraene.
What is the SMILES notation for (11Z,14Z)-octadeca-1,2,11,14-tetraene?
The canonical SMILES for (11Z,14Z)-octadeca-1,2,11,14-tetraene is C=C=CCCCCCCC/C=C\C/C=C\CCC.
What is the InChIKey of (11Z,14Z)-octadeca-1,2,11,14-tetraene?
The InChIKey is GVAHUBWYMLBVCP-UDJAPEQQSA-N. The full InChI is InChI=1S/C18H30/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,8,10,14,16H,1,4,6-7,9,11-13,15,17-18H2,2H3/b10-8-,16-14-.
What are the key properties of (11Z,14Z)-octadeca-1,2,11,14-tetraene?
(11Z,14Z)-octadeca-1,2,11,14-tetraene has a molecular weight of 246.44 g/mol, XLogP of 6.36, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-octadeca-1,2,11,14-tetraene is sourced from PubChem (CID 157049170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).