(E)-2,2,4,6,6,8,8-heptamethylnon-3-ene

C16H32 — CID 14008334

IUPAC(E)-2,2,4,6,6,8,8-heptamethylnon-3-ene
SMILESC/C(=C\C(C)(C)C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h10H,11-12H2,1-9H3/b13-10+
InChIKeyJIUVGNDAZGEZEM-JLHYYAGUSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds3

About (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene

(E)-2,2,4,6,6,8,8-heptamethylnon-3-ene (PubChem CID 14008334) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene.

Molecular Properties

Compound Name(E)-2,2,4,6,6,8,8-heptamethylnon-3-ene
PubChem CID14008334
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name(E)-2,2,4,6,6,8,8-heptamethylnon-3-ene
SMILESC/C(=C\C(C)(C)C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h10H,11-12H2,1-9H3/b13-10+
InChIKeyJIUVGNDAZGEZEM-JLHYYAGUSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene?
The IUPAC name of (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene (CID 14008334) is (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene.
What is the SMILES notation for (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene?
The canonical SMILES for (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene is C/C(=C\C(C)(C)C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene?
The InChIKey is JIUVGNDAZGEZEM-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H32/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h10H,11-12H2,1-9H3/b13-10+.
What are the key properties of (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene?
(E)-2,2,4,6,6,8,8-heptamethylnon-3-ene has a molecular weight of 224.43 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,4,6,6,8,8-heptamethylnon-3-ene is sourced from PubChem (CID 14008334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).