(E)-11-(5-methylhexyl)henicos-10-ene

C28H56 — CID 155621794

IUPAC(E)-11-(5-methylhexyl)henicos-10-ene
SMILESCCCCCCCCC/C=C(\CCCCCCCCCC)CCCCC(C)C
InChIInChI=1S/C28H56/c1-5-7-9-11-13-15-17-19-24-28(26-22-21-23-27(3)4)25-20-18-16-14-12-10-8-6-2/h24,27H,5-23,25-26H2,1-4H3/b28-24+
InChIKeyJTERJNOGVRINHQ-ZZIIXHQDSA-N
MW392.76 g/mol
LogP10.80
Rot. Bonds22

About (E)-11-(5-methylhexyl)henicos-10-ene

(E)-11-(5-methylhexyl)henicos-10-ene (PubChem CID 155621794) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is (E)-11-(5-methylhexyl)henicos-10-ene.

Molecular Properties

Compound Name(E)-11-(5-methylhexyl)henicos-10-ene
PubChem CID155621794
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name(E)-11-(5-methylhexyl)henicos-10-ene
SMILESCCCCCCCCC/C=C(\CCCCCCCCCC)CCCCC(C)C
InChIInChI=1S/C28H56/c1-5-7-9-11-13-15-17-19-24-28(26-22-21-23-27(3)4)25-20-18-16-14-12-10-8-6-2/h24,27H,5-23,25-26H2,1-4H3/b28-24+
InChIKeyJTERJNOGVRINHQ-ZZIIXHQDSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.80
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

2-methyl-6-propyltridec-5-ene
CID 91251562
6-ethyltridec-6-ene
CID 123238287
(Z)-7-ethyltetradec-7-ene
CID 134978641
28-hexylpentaconta-1,28-diene
CID 90932256
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
(E)-2-pentylnon-2-en-1-ol
CID 87912407
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
5-butylicos-4-ene
CID 54084142
(E)-2-methylheptadec-8-ene
CID 20541049
(E)-5-butyltridec-4-ene
CID 12531554

Frequently Asked Questions

What is the IUPAC name of (E)-11-(5-methylhexyl)henicos-10-ene?
The IUPAC name of (E)-11-(5-methylhexyl)henicos-10-ene (CID 155621794) is (E)-11-(5-methylhexyl)henicos-10-ene.
What is the SMILES notation for (E)-11-(5-methylhexyl)henicos-10-ene?
The canonical SMILES for (E)-11-(5-methylhexyl)henicos-10-ene is CCCCCCCCC/C=C(\CCCCCCCCCC)CCCCC(C)C.
What is the InChIKey of (E)-11-(5-methylhexyl)henicos-10-ene?
The InChIKey is JTERJNOGVRINHQ-ZZIIXHQDSA-N. The full InChI is InChI=1S/C28H56/c1-5-7-9-11-13-15-17-19-24-28(26-22-21-23-27(3)4)25-20-18-16-14-12-10-8-6-2/h24,27H,5-23,25-26H2,1-4H3/b28-24+.
What are the key properties of (E)-11-(5-methylhexyl)henicos-10-ene?
(E)-11-(5-methylhexyl)henicos-10-ene has a molecular weight of 392.76 g/mol, XLogP of 10.80, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-(5-methylhexyl)henicos-10-ene is sourced from PubChem (CID 155621794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).