(E)-3-methylhept-2-ene

C8H16 — CID 5366149

IUPAC(E)-3-methylhept-2-ene
SMILESC/C=C(\C)CCCC
InChIInChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyOFKLSPUVNMOIJB-VMPITWQZSA-N
MW112.22 g/mol
LogP3.14
Rot. Bonds3

About (E)-3-methylhept-2-ene

(E)-3-methylhept-2-ene (PubChem CID 5366149) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (E)-3-methylhept-2-ene.

Molecular Properties

Compound Name(E)-3-methylhept-2-ene
PubChem CID5366149
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(E)-3-methylhept-2-ene
SMILESC/C=C(\C)CCCC
InChIInChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyOFKLSPUVNMOIJB-VMPITWQZSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.14
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)-3-methylhept-2-ene?
The IUPAC name of (E)-3-methylhept-2-ene (CID 5366149) is (E)-3-methylhept-2-ene.
What is the SMILES notation for (E)-3-methylhept-2-ene?
The canonical SMILES for (E)-3-methylhept-2-ene is C/C=C(\C)CCCC.
What is the InChIKey of (E)-3-methylhept-2-ene?
The InChIKey is OFKLSPUVNMOIJB-VMPITWQZSA-N. The full InChI is InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+.
What are the key properties of (E)-3-methylhept-2-ene?
(E)-3-methylhept-2-ene has a molecular weight of 112.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylhept-2-ene is sourced from PubChem (CID 5366149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).