2-methylhex-2-ene

C7H14 — CID 17656

IUPAC2-methylhex-2-ene
SMILESCCCC=C(C)C
InChIInChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3
InChIKeyBWEKDYGHDCHWEN-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds2

About 2-methylhex-2-ene

2-methylhex-2-ene (PubChem CID 17656) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 2-methylhex-2-ene.

Molecular Properties

Compound Name2-methylhex-2-ene
PubChem CID17656
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name2-methylhex-2-ene
SMILESCCCC=C(C)C
InChIInChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3
InChIKeyBWEKDYGHDCHWEN-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.75
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 2-methylhex-2-ene?
The IUPAC name of 2-methylhex-2-ene (CID 17656) is 2-methylhex-2-ene.
What is the SMILES notation for 2-methylhex-2-ene?
The canonical SMILES for 2-methylhex-2-ene is CCCC=C(C)C.
What is the InChIKey of 2-methylhex-2-ene?
The InChIKey is BWEKDYGHDCHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylhex-2-ene?
2-methylhex-2-ene has a molecular weight of 98.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-ene is sourced from PubChem (CID 17656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).