4-ethyl-4-propan-2-ylcyclohexene

C11H20 — CID 23385010

IUPAC4-ethyl-4-propan-2-ylcyclohexene
SMILESCCC1(C(C)C)CC=CCC1
InChIInChI=1S/C11H20/c1-4-11(10(2)3)8-6-5-7-9-11/h5-6,10H,4,7-9H2,1-3H3
InChIKeyVJFMMDXEBZKPDQ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds2

About 4-ethyl-4-propan-2-ylcyclohexene

4-ethyl-4-propan-2-ylcyclohexene (PubChem CID 23385010) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4-ethyl-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name4-ethyl-4-propan-2-ylcyclohexene
PubChem CID23385010
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4-ethyl-4-propan-2-ylcyclohexene
SMILESCCC1(C(C)C)CC=CCC1
InChIInChI=1S/C11H20/c1-4-11(10(2)3)8-6-5-7-9-11/h5-6,10H,4,7-9H2,1-3H3
InChIKeyVJFMMDXEBZKPDQ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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

Elemene
CID 12309449
4-Vinyl-1-cyclohexene
CID 7499
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
4-Carene, (1S,3R,6R)-(-)-
CID 530422
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
4-Methylcyclohexene
CID 11572
beta-Thujene
CID 520384
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
Cyclohexene, trimethyl-
CID 79032
3,3,5-Trimethylcyclohexene
CID 79031
delta-Elemene
CID 145925530

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-propan-2-ylcyclohexene?
The IUPAC name of 4-ethyl-4-propan-2-ylcyclohexene (CID 23385010) is 4-ethyl-4-propan-2-ylcyclohexene.
What is the SMILES notation for 4-ethyl-4-propan-2-ylcyclohexene?
The canonical SMILES for 4-ethyl-4-propan-2-ylcyclohexene is CCC1(C(C)C)CC=CCC1.
What is the InChIKey of 4-ethyl-4-propan-2-ylcyclohexene?
The InChIKey is VJFMMDXEBZKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-11(10(2)3)8-6-5-7-9-11/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 4-ethyl-4-propan-2-ylcyclohexene?
4-ethyl-4-propan-2-ylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-propan-2-ylcyclohexene is sourced from PubChem (CID 23385010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).