1-tert-butyl-4-(4-methylidenecyclohexyl)benzene

C17H24 — CID 90948712

IUPAC1-tert-butyl-4-(4-methylidenecyclohexyl)benzene
SMILESC=C1CCC(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H24/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4/h9-12,14H,1,5-8H2,2-4H3
InChIKeyGWBFWHBJPFXYLB-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.20
Rot. Bonds1

About 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene

1-tert-butyl-4-(4-methylidenecyclohexyl)benzene (PubChem CID 90948712) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-methylidenecyclohexyl)benzene
PubChem CID90948712
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-tert-butyl-4-(4-methylidenecyclohexyl)benzene
SMILESC=C1CCC(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H24/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4/h9-12,14H,1,5-8H2,2-4H3
InChIKeyGWBFWHBJPFXYLB-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.20
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-(4-methylidenecyclohexyl)benzene?
The IUPAC name of 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene (CID 90948712) is 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene is C=C1CCC(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene?
The InChIKey is GWBFWHBJPFXYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4/h9-12,14H,1,5-8H2,2-4H3.
What are the key properties of 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene?
1-tert-butyl-4-(4-methylidenecyclohexyl)benzene has a molecular weight of 228.38 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-methylidenecyclohexyl)benzene is sourced from PubChem (CID 90948712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).