1-tert-butyl-4-ethylidenecyclohexane

C12H22 — CID 11137504

IUPAC1-tert-butyl-4-ethylidenecyclohexane
SMILESCC=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H22/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5,11H,6-9H2,1-4H3/b10-5-
InChIKeyNAKSJRXGDIIXRU-YHYXMXQVSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds

About 1-tert-butyl-4-ethylidenecyclohexane

1-tert-butyl-4-ethylidenecyclohexane (PubChem CID 11137504) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylidenecyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-ethylidenecyclohexane
PubChem CID11137504
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-tert-butyl-4-ethylidenecyclohexane
SMILESCC=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H22/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5,11H,6-9H2,1-4H3/b10-5-
InChIKeyNAKSJRXGDIIXRU-YHYXMXQVSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
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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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylidenecyclohexane?
The IUPAC name of 1-tert-butyl-4-ethylidenecyclohexane (CID 11137504) is 1-tert-butyl-4-ethylidenecyclohexane.
What is the SMILES notation for 1-tert-butyl-4-ethylidenecyclohexane?
The canonical SMILES for 1-tert-butyl-4-ethylidenecyclohexane is CC=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethylidenecyclohexane?
The InChIKey is NAKSJRXGDIIXRU-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H22/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5,11H,6-9H2,1-4H3/b10-5-.
What are the key properties of 1-tert-butyl-4-ethylidenecyclohexane?
1-tert-butyl-4-ethylidenecyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 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-ethylidenecyclohexane is sourced from PubChem (CID 11137504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).