(E)-8-methylideneoctadec-6-ene

C19H36 — CID 13253350

IUPAC(E)-8-methylideneoctadec-6-ene
SMILESC=C(/C=C/CCCCC)CCCCCCCCCC
InChIInChI=1S/C19H36/c1-4-6-8-10-11-12-14-16-18-19(3)17-15-13-9-7-5-2/h15,17H,3-14,16,18H2,1-2H3/b17-15+
InChIKeyDACFEFXIMHUESR-BMRADRMJSA-N
MW264.50 g/mol
LogP7.21
Rot. Bonds14

About (E)-8-methylideneoctadec-6-ene

(E)-8-methylideneoctadec-6-ene (PubChem CID 13253350) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is (E)-8-methylideneoctadec-6-ene.

Molecular Properties

Compound Name(E)-8-methylideneoctadec-6-ene
PubChem CID13253350
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name(E)-8-methylideneoctadec-6-ene
SMILESC=C(/C=C/CCCCC)CCCCCCCCCC
InChIInChI=1S/C19H36/c1-4-6-8-10-11-12-14-16-18-19(3)17-15-13-9-7-5-2/h15,17H,3-14,16,18H2,1-2H3/b17-15+
InChIKeyDACFEFXIMHUESR-BMRADRMJSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-methylideneoctadec-6-ene?
The IUPAC name of (E)-8-methylideneoctadec-6-ene (CID 13253350) is (E)-8-methylideneoctadec-6-ene.
What is the SMILES notation for (E)-8-methylideneoctadec-6-ene?
The canonical SMILES for (E)-8-methylideneoctadec-6-ene is C=C(/C=C/CCCCC)CCCCCCCCCC.
What is the InChIKey of (E)-8-methylideneoctadec-6-ene?
The InChIKey is DACFEFXIMHUESR-BMRADRMJSA-N. The full InChI is InChI=1S/C19H36/c1-4-6-8-10-11-12-14-16-18-19(3)17-15-13-9-7-5-2/h15,17H,3-14,16,18H2,1-2H3/b17-15+.
What are the key properties of (E)-8-methylideneoctadec-6-ene?
(E)-8-methylideneoctadec-6-ene has a molecular weight of 264.50 g/mol, XLogP of 7.21, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methylideneoctadec-6-ene is sourced from PubChem (CID 13253350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).