2-methylhex-1-ene

C14H28 — CID 158402499

IUPAC2-methylhex-1-ene
SMILESC=C(C)CCCC.C=C(C)CCCC
InChIInChI=1S/2C7H14/c2*1-4-5-6-7(2)3/h2*2,4-6H2,1,3H3
InChIKeyGYGVBBNWPNKROI-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.51
Rot. Bonds6

About 2-methylhex-1-ene

2-methylhex-1-ene (PubChem CID 158402499) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-methylhex-1-ene.

Molecular Properties

Compound Name2-methylhex-1-ene
PubChem CID158402499
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-methylhex-1-ene
SMILESC=C(C)CCCC.C=C(C)CCCC
InChIInChI=1S/2C7H14/c2*1-4-5-6-7(2)3/h2*2,4-6H2,1,3H3
InChIKeyGYGVBBNWPNKROI-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.51
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

ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
CID 173451985
2-methylundeca-1,6-diene
CID 173154459
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
ethane;ethene;2-methylhex-1-ene;octane;6-pentylundecane
CID 177138791
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
methane;hexakis(2-methylpent-1-ene)
CID 175346690
1-(8-methylnon-8-enoxy)dodecane
CID 10520052

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-1-ene?
The IUPAC name of 2-methylhex-1-ene (CID 158402499) is 2-methylhex-1-ene.
What is the SMILES notation for 2-methylhex-1-ene?
The canonical SMILES for 2-methylhex-1-ene is C=C(C)CCCC.C=C(C)CCCC.
What is the InChIKey of 2-methylhex-1-ene?
The InChIKey is GYGVBBNWPNKROI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14/c2*1-4-5-6-7(2)3/h2*2,4-6H2,1,3H3.
What are the key properties of 2-methylhex-1-ene?
2-methylhex-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-1-ene is sourced from PubChem (CID 158402499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).