(E)-hexadec-6-ene

C16H32 — CID 5352260

IUPAC(E)-hexadec-6-ene
SMILESCCCCC/C=C/CCCCCCCCC
InChIInChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3/b13-11+
InChIKeyCTDXHTXAABMUIW-ACCUITESSA-N
MW224.43 g/mol
LogP6.26
Rot. Bonds12

About (E)-hexadec-6-ene

(E)-hexadec-6-ene (PubChem CID 5352260) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is (E)-hexadec-6-ene.

Molecular Properties

Compound Name(E)-hexadec-6-ene
PubChem CID5352260
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name(E)-hexadec-6-ene
SMILESCCCCC/C=C/CCCCCCCCC
InChIInChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3/b13-11+
InChIKeyCTDXHTXAABMUIW-ACCUITESSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.26
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

(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of (E)-hexadec-6-ene?
The IUPAC name of (E)-hexadec-6-ene (CID 5352260) is (E)-hexadec-6-ene.
What is the SMILES notation for (E)-hexadec-6-ene?
The canonical SMILES for (E)-hexadec-6-ene is CCCCC/C=C/CCCCCCCCC.
What is the InChIKey of (E)-hexadec-6-ene?
The InChIKey is CTDXHTXAABMUIW-ACCUITESSA-N. The full InChI is InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3/b13-11+.
What are the key properties of (E)-hexadec-6-ene?
(E)-hexadec-6-ene has a molecular weight of 224.43 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hexadec-6-ene is sourced from PubChem (CID 5352260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).