octacos-3-ene

C28H56 — CID 54171253

IUPACoctacos-3-ene
SMILESCCC=CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-28H2,1-2H3
InChIKeyOVEWEWODENRCFE-UHFFFAOYSA-N
MW392.76 g/mol
LogP10.94
Rot. Bonds24

About octacos-3-ene

octacos-3-ene (PubChem CID 54171253) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is octacos-3-ene.

Molecular Properties

Compound Nameoctacos-3-ene
PubChem CID54171253
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Nameoctacos-3-ene
SMILESCCC=CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-28H2,1-2H3
InChIKeyOVEWEWODENRCFE-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.94
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

(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
(E)-non-3-ene
CID 5364445
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
magnesium;(Z)-non-3-ene;dichloride
CID 174157517

Frequently Asked Questions

What is the IUPAC name of octacos-3-ene?
The IUPAC name of octacos-3-ene (CID 54171253) is octacos-3-ene.
What is the SMILES notation for octacos-3-ene?
The canonical SMILES for octacos-3-ene is CCC=CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of octacos-3-ene?
The InChIKey is OVEWEWODENRCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-28H2,1-2H3.
What are the key properties of octacos-3-ene?
octacos-3-ene has a molecular weight of 392.76 g/mol, XLogP of 10.94, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacos-3-ene is sourced from PubChem (CID 54171253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).