1,2-bis(2-methylpropyl)cyclohexene

C14H26 — CID 163419117

IUPAC1,2-bis(2-methylpropyl)cyclohexene
SMILESCC(C)CC1=C(CC(C)C)CCCC1
InChIInChI=1S/C14H26/c1-11(2)9-13-7-5-6-8-14(13)10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyAGXVDJPJYFLXMV-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds4

About 1,2-bis(2-methylpropyl)cyclohexene

1,2-bis(2-methylpropyl)cyclohexene (PubChem CID 163419117) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)cyclohexene.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)cyclohexene
PubChem CID163419117
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,2-bis(2-methylpropyl)cyclohexene
SMILESCC(C)CC1=C(CC(C)C)CCCC1
InChIInChI=1S/C14H26/c1-11(2)9-13-7-5-6-8-14(13)10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyAGXVDJPJYFLXMV-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.95
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 1,2-bis(2-methylpropyl)cyclohexene?
The IUPAC name of 1,2-bis(2-methylpropyl)cyclohexene (CID 163419117) is 1,2-bis(2-methylpropyl)cyclohexene.
What is the SMILES notation for 1,2-bis(2-methylpropyl)cyclohexene?
The canonical SMILES for 1,2-bis(2-methylpropyl)cyclohexene is CC(C)CC1=C(CC(C)C)CCCC1.
What is the InChIKey of 1,2-bis(2-methylpropyl)cyclohexene?
The InChIKey is AGXVDJPJYFLXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-11(2)9-13-7-5-6-8-14(13)10-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,2-bis(2-methylpropyl)cyclohexene?
1,2-bis(2-methylpropyl)cyclohexene has a molecular weight of 194.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)cyclohexene is sourced from PubChem (CID 163419117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).