4-tert-butyl-1-cyclopropylcyclohexene

C13H22 — CID 11095204

IUPAC4-tert-butyl-1-cyclopropylcyclohexene
SMILESCC(C)(C)C1CC=C(C2CC2)CC1
InChIInChI=1S/C13H22/c1-13(2,3)12-8-6-11(7-9-12)10-4-5-10/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyOTLQQINLMZPDGB-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds1

About 4-tert-butyl-1-cyclopropylcyclohexene

4-tert-butyl-1-cyclopropylcyclohexene (PubChem CID 11095204) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylcyclohexene.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylcyclohexene
PubChem CID11095204
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4-tert-butyl-1-cyclopropylcyclohexene
SMILESCC(C)(C)C1CC=C(C2CC2)CC1
InChIInChI=1S/C13H22/c1-13(2,3)12-8-6-11(7-9-12)10-4-5-10/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyOTLQQINLMZPDGB-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
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

(+-)-alpha-Pinene
CID 6654
(-)-Caryophyllene
CID 5281515
alpha-Pinene, (+)-
CID 82227
(-)-alpha-Pinene
CID 440968
3-Carene
CID 26049
Valencene
CID 9855795
(+)-3-Carene
CID 443156
(-)-Isocaryophyllene
CID 5281522
delta-Cadinene
CID 441005
Elemene
CID 12309449
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylcyclohexene?
The IUPAC name of 4-tert-butyl-1-cyclopropylcyclohexene (CID 11095204) is 4-tert-butyl-1-cyclopropylcyclohexene.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylcyclohexene?
The canonical SMILES for 4-tert-butyl-1-cyclopropylcyclohexene is CC(C)(C)C1CC=C(C2CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-cyclopropylcyclohexene?
The InChIKey is OTLQQINLMZPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-13(2,3)12-8-6-11(7-9-12)10-4-5-10/h6,10,12H,4-5,7-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopropylcyclohexene?
4-tert-butyl-1-cyclopropylcyclohexene has a molecular weight of 178.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylcyclohexene is sourced from PubChem (CID 11095204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).