1-tert-butyl-4-methylidenecyclohexene

C11H18 — CID 45091718

IUPAC1-tert-butyl-4-methylidenecyclohexene
SMILESC=C1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C11H18/c1-9-5-7-10(8-6-9)11(2,3)4/h7H,1,5-6,8H2,2-4H3
InChIKeyPRKQPFQCUWSYLN-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds

About 1-tert-butyl-4-methylidenecyclohexene

1-tert-butyl-4-methylidenecyclohexene (PubChem CID 45091718) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-tert-butyl-4-methylidenecyclohexene.

Molecular Properties

Compound Name1-tert-butyl-4-methylidenecyclohexene
PubChem CID45091718
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-tert-butyl-4-methylidenecyclohexene
SMILESC=C1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C11H18/c1-9-5-7-10(8-6-9)11(2,3)4/h7H,1,5-6,8H2,2-4H3
InChIKeyPRKQPFQCUWSYLN-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
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-tert-butyl-4-methylidenecyclohexene?
The IUPAC name of 1-tert-butyl-4-methylidenecyclohexene (CID 45091718) is 1-tert-butyl-4-methylidenecyclohexene.
What is the SMILES notation for 1-tert-butyl-4-methylidenecyclohexene?
The canonical SMILES for 1-tert-butyl-4-methylidenecyclohexene is C=C1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylidenecyclohexene?
The InChIKey is PRKQPFQCUWSYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9-5-7-10(8-6-9)11(2,3)4/h7H,1,5-6,8H2,2-4H3.
What are the key properties of 1-tert-butyl-4-methylidenecyclohexene?
1-tert-butyl-4-methylidenecyclohexene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 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-methylidenecyclohexene is sourced from PubChem (CID 45091718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).