(E)-henicos-9-ene

C21H42 — CID 6115850

IUPAC(E)-henicos-9-ene
SMILESCCCCCCCC/C=C/CCCCCCCCCCC
InChIInChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-21H2,1-2H3/b19-17+
InChIKeyNVBODECJSYHQIE-HTXNQAPBSA-N
MW294.57 g/mol
LogP8.21
Rot. Bonds17

About (E)-henicos-9-ene

(E)-henicos-9-ene (PubChem CID 6115850) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is (E)-henicos-9-ene.

Molecular Properties

Compound Name(E)-henicos-9-ene
PubChem CID6115850
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name(E)-henicos-9-ene
SMILESCCCCCCCC/C=C/CCCCCCCCCCC
InChIInChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-21H2,1-2H3/b19-17+
InChIKeyNVBODECJSYHQIE-HTXNQAPBSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.21
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 (E)-henicos-9-ene?
The IUPAC name of (E)-henicos-9-ene (CID 6115850) is (E)-henicos-9-ene.
What is the SMILES notation for (E)-henicos-9-ene?
The canonical SMILES for (E)-henicos-9-ene is CCCCCCCC/C=C/CCCCCCCCCCC.
What is the InChIKey of (E)-henicos-9-ene?
The InChIKey is NVBODECJSYHQIE-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-21H2,1-2H3/b19-17+.
What are the key properties of (E)-henicos-9-ene?
(E)-henicos-9-ene has a molecular weight of 294.57 g/mol, XLogP of 8.21, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-henicos-9-ene is sourced from PubChem (CID 6115850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).