2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene

C18H32 — CID 176716229

IUPAC2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene
SMILESC=C(CC)C(C)(CC)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C18H32/c1-8-15(4)18(7,9-2)13-16-14(3)11-10-12-17(16,5)6/h4,8-13H2,1-3,5-7H3
InChIKeyLKJMJHIZOJCASR-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.29
Rot. Bonds5

About 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene

2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene (PubChem CID 176716229) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene
PubChem CID176716229
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene
SMILESC=C(CC)C(C)(CC)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C18H32/c1-8-15(4)18(7,9-2)13-16-14(3)11-10-12-17(16,5)6/h4,8-13H2,1-3,5-7H3
InChIKeyLKJMJHIZOJCASR-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.29
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-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene (CID 176716229) is 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene is C=C(CC)C(C)(CC)CC1=C(C)CCCC1(C)C.
What is the InChIKey of 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene?
The InChIKey is LKJMJHIZOJCASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-8-15(4)18(7,9-2)13-16-14(3)11-10-12-17(16,5)6/h4,8-13H2,1-3,5-7H3.
What are the key properties of 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene?
2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene has a molecular weight of 248.45 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methyl-3-methylidenepentyl)-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 176716229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).