hexacos-1-ene

C26H52 — CID 29303

IUPAChexacos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3
InChIKeyOMXANELYEWRDAW-UHFFFAOYSA-N
MW364.70 g/mol
LogP10.16
Rot. Bonds23

About hexacos-1-ene

hexacos-1-ene (PubChem CID 29303) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is hexacos-1-ene.

Molecular Properties

Compound Namehexacos-1-ene
PubChem CID29303
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Namehexacos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3
InChIKeyOMXANELYEWRDAW-UHFFFAOYSA-N
XLogP10.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 510.16
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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Frequently Asked Questions

What is the IUPAC name of hexacos-1-ene?
The IUPAC name of hexacos-1-ene (CID 29303) is hexacos-1-ene.
What is the SMILES notation for hexacos-1-ene?
The canonical SMILES for hexacos-1-ene is C=CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of hexacos-1-ene?
The InChIKey is OMXANELYEWRDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3.
What are the key properties of hexacos-1-ene?
hexacos-1-ene has a molecular weight of 364.70 g/mol, XLogP of 10.16, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacos-1-ene is sourced from PubChem (CID 29303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).