1-tert-butyl-4-cyclohexylidenecyclohexane

C16H28 — CID 10846597

IUPAC1-tert-butyl-4-cyclohexylidenecyclohexane
SMILESCC(C)(C)C1CCC(=C2CCCCC2)CC1
InChIInChI=1S/C16H28/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h15H,4-12H2,1-3H3
InChIKeyQYAVWLRVQKDSKK-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.48
Rot. Bonds

About 1-tert-butyl-4-cyclohexylidenecyclohexane

1-tert-butyl-4-cyclohexylidenecyclohexane (PubChem CID 10846597) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclohexylidenecyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-cyclohexylidenecyclohexane
PubChem CID10846597
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-tert-butyl-4-cyclohexylidenecyclohexane
SMILESCC(C)(C)C1CCC(=C2CCCCC2)CC1
InChIInChI=1S/C16H28/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h15H,4-12H2,1-3H3
InChIKeyQYAVWLRVQKDSKK-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.48
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-cyclohexylidenecyclohexane?
The IUPAC name of 1-tert-butyl-4-cyclohexylidenecyclohexane (CID 10846597) is 1-tert-butyl-4-cyclohexylidenecyclohexane.
What is the SMILES notation for 1-tert-butyl-4-cyclohexylidenecyclohexane?
The canonical SMILES for 1-tert-butyl-4-cyclohexylidenecyclohexane is CC(C)(C)C1CCC(=C2CCCCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-cyclohexylidenecyclohexane?
The InChIKey is QYAVWLRVQKDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h15H,4-12H2,1-3H3.
What are the key properties of 1-tert-butyl-4-cyclohexylidenecyclohexane?
1-tert-butyl-4-cyclohexylidenecyclohexane has a molecular weight of 220.40 g/mol, XLogP of 5.48, 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-cyclohexylidenecyclohexane is sourced from PubChem (CID 10846597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).