4-methylhex-1-ene

C7H14 — CID 19589

IUPAC4-methylhex-1-ene
SMILESC=CCC(C)CC
InChIInChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeySUWJESCICIOQHO-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.61
Rot. Bonds3

About 4-methylhex-1-ene

4-methylhex-1-ene (PubChem CID 19589) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 4-methylhex-1-ene.

Molecular Properties

Compound Name4-methylhex-1-ene
PubChem CID19589
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name4-methylhex-1-ene
SMILESC=CCC(C)CC
InChIInChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeySUWJESCICIOQHO-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.61
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 4-methylhex-1-ene?
The IUPAC name of 4-methylhex-1-ene (CID 19589) is 4-methylhex-1-ene.
What is the SMILES notation for 4-methylhex-1-ene?
The canonical SMILES for 4-methylhex-1-ene is C=CCC(C)CC.
What is the InChIKey of 4-methylhex-1-ene?
The InChIKey is SUWJESCICIOQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4-methylhex-1-ene?
4-methylhex-1-ene has a molecular weight of 98.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhex-1-ene is sourced from PubChem (CID 19589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).