1-ethyl-4-(2-methylpentan-2-yl)cyclohexene

C14H26 — CID 142221841

IUPAC1-ethyl-4-(2-methylpentan-2-yl)cyclohexene
SMILESCCCC(C)(C)C1CC=C(CC)CC1
InChIInChI=1S/C14H26/c1-5-11-14(3,4)13-9-7-12(6-2)8-10-13/h7,13H,5-6,8-11H2,1-4H3
InChIKeyOOLKMURGYGSITC-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds4

About 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene

1-ethyl-4-(2-methylpentan-2-yl)cyclohexene (PubChem CID 142221841) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpentan-2-yl)cyclohexene
PubChem CID142221841
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-ethyl-4-(2-methylpentan-2-yl)cyclohexene
SMILESCCCC(C)(C)C1CC=C(CC)CC1
InChIInChI=1S/C14H26/c1-5-11-14(3,4)13-9-7-12(6-2)8-10-13/h7,13H,5-6,8-11H2,1-4H3
InChIKeyOOLKMURGYGSITC-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-ethyl-4-(2-methylpentan-2-yl)cyclohexene?
The IUPAC name of 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene (CID 142221841) is 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene.
What is the SMILES notation for 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene?
The canonical SMILES for 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene is CCCC(C)(C)C1CC=C(CC)CC1.
What is the InChIKey of 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene?
The InChIKey is OOLKMURGYGSITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-11-14(3,4)13-9-7-12(6-2)8-10-13/h7,13H,5-6,8-11H2,1-4H3.
What are the key properties of 1-ethyl-4-(2-methylpentan-2-yl)cyclohexene?
1-ethyl-4-(2-methylpentan-2-yl)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-ethyl-4-(2-methylpentan-2-yl)cyclohexene is sourced from PubChem (CID 142221841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).