hex-1-ene;4-methylpent-1-ene

C12H24 — CID 21184921

IUPAChex-1-ene;4-methylpent-1-ene
SMILESC=CCC(C)C.C=CCCCC
InChIInChI=1S/2C6H12/c1-4-5-6(2)3;1-3-5-6-4-2/h4,6H,1,5H2,2-3H3;3H,1,4-6H2,2H3
InChIKeyDMYXAOQFISVDMY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.58
Rot. Bonds5

About hex-1-ene;4-methylpent-1-ene

hex-1-ene;4-methylpent-1-ene (PubChem CID 21184921) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is hex-1-ene;4-methylpent-1-ene.

Molecular Properties

Compound Namehex-1-ene;4-methylpent-1-ene
PubChem CID21184921
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namehex-1-ene;4-methylpent-1-ene
SMILESC=CCC(C)C.C=CCCCC
InChIInChI=1S/2C6H12/c1-4-5-6(2)3;1-3-5-6-4-2/h4,6H,1,5H2,2-3H3;3H,1,4-6H2,2H3
InChIKeyDMYXAOQFISVDMY-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene;4-methylpent-1-ene?
The IUPAC name of hex-1-ene;4-methylpent-1-ene (CID 21184921) is hex-1-ene;4-methylpent-1-ene.
What is the SMILES notation for hex-1-ene;4-methylpent-1-ene?
The canonical SMILES for hex-1-ene;4-methylpent-1-ene is C=CCC(C)C.C=CCCCC.
What is the InChIKey of hex-1-ene;4-methylpent-1-ene?
The InChIKey is DMYXAOQFISVDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12/c1-4-5-6(2)3;1-3-5-6-4-2/h4,6H,1,5H2,2-3H3;3H,1,4-6H2,2H3.
What are the key properties of hex-1-ene;4-methylpent-1-ene?
hex-1-ene;4-methylpent-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;4-methylpent-1-ene is sourced from PubChem (CID 21184921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).