4-Methyl-2-hexene

C7H14 — CID 5357249

IUPAC(E)-4-methylhex-2-ene
SMILESCCC(C)/C=C/C
InChIInChI=1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyMBNDKEPQUVZHCM-GQCTYLIASA-N
MW98.19 g/mol
LogP3.00
Rot. Bonds2

About 4-Methyl-2-hexene

4-Methyl-2-hexene (PubChem CID 5357249) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is (E)-4-methylhex-2-ene.

Molecular Properties

Compound Name4-Methyl-2-hexene
PubChem CID5357249
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name(E)-4-methylhex-2-ene
SMILESCCC(C)/C=C/C
InChIInChI=1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyMBNDKEPQUVZHCM-GQCTYLIASA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity53

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-pentene, (2Z)-
CID 5326159
4-Methyl-1-pentene
CID 12724
3-Heptene
CID 11612
Hex-2-ene
CID 19966
Hexene
CID 639661
2,3-Dimethyl-1,4-hexadiene
CID 5368910
4-Methyl-2-pentene
CID 12659
4-Methyl-2-pentene, (2E)-
CID 172092
1,4-Hexadiene, 4-methyl-, cis-
CID 5367525
3-Methylcyclopentene
CID 14263
2-Methyl-3-heptene, (3E)-
CID 5357255
2-Hexene, (2Z)-
CID 643835

Frequently Asked Questions

What is the IUPAC name of 4-Methyl-2-hexene?
The IUPAC name of 4-Methyl-2-hexene (CID 5357249) is (E)-4-methylhex-2-ene.
What is the SMILES notation for 4-Methyl-2-hexene?
The canonical SMILES for 4-Methyl-2-hexene is CCC(C)/C=C/C.
What is the InChIKey of 4-Methyl-2-hexene?
The InChIKey is MBNDKEPQUVZHCM-GQCTYLIASA-N. The full InChI is InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+.
What are the key properties of 4-Methyl-2-hexene?
4-Methyl-2-hexene has a molecular weight of 98.19 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methyl-2-hexene is sourced from PubChem (CID 5357249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).