1-tert-butyl-4-cyclopropylidenecyclohexane

C13H22 — CID 13280445

IUPAC1-tert-butyl-4-cyclopropylidenecyclohexane
SMILESCC(C)(C)C1CCC(=C2CC2)CC1
InChIInChI=1S/C13H22/c1-13(2,3)12-8-6-11(7-9-12)10-4-5-10/h12H,4-9H2,1-3H3
InChIKeyMLMNOKCJIRWOLU-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.31
Rot. Bonds

About 1-tert-butyl-4-cyclopropylidenecyclohexane

1-tert-butyl-4-cyclopropylidenecyclohexane (PubChem CID 13280445) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclopropylidenecyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-cyclopropylidenecyclohexane
PubChem CID13280445
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-tert-butyl-4-cyclopropylidenecyclohexane
SMILESCC(C)(C)C1CCC(=C2CC2)CC1
InChIInChI=1S/C13H22/c1-13(2,3)12-8-6-11(7-9-12)10-4-5-10/h12H,4-9H2,1-3H3
InChIKeyMLMNOKCJIRWOLU-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.31
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

3-Carene
CID 26049
(+)-3-Carene
CID 443156
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
alpha-Thujene
CID 17868
2-Carene
CID 79044
Bicyclogermacrene
CID 13894537
Sesquithujene
CID 25147318
Sesquisabinene
CID 25202482
(-)-alpha-Thujene
CID 637518
(2Z,6Z)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 21159022
(1S,5S)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene
CID 53439065

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclopropylidenecyclohexane?
The IUPAC name of 1-tert-butyl-4-cyclopropylidenecyclohexane (CID 13280445) is 1-tert-butyl-4-cyclopropylidenecyclohexane.
What is the SMILES notation for 1-tert-butyl-4-cyclopropylidenecyclohexane?
The canonical SMILES for 1-tert-butyl-4-cyclopropylidenecyclohexane is CC(C)(C)C1CCC(=C2CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-cyclopropylidenecyclohexane?
The InChIKey is MLMNOKCJIRWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-13(2,3)12-8-6-11(7-9-12)10-4-5-10/h12H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-cyclopropylidenecyclohexane?
1-tert-butyl-4-cyclopropylidenecyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclopropylidenecyclohexane is sourced from PubChem (CID 13280445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).