2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane

C17H32 — CID 90686929

IUPAC2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane
SMILESC=C1CC(C(C)(C)C(C)CCC)C1C(C)CC
InChIInChI=1S/C17H32/c1-8-10-14(5)17(6,7)15-11-13(4)16(15)12(3)9-2/h12,14-16H,4,8-11H2,1-3,5-7H3
InChIKeyPCOZCTDSILEIHT-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.69
Rot. Bonds6

About 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane

2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane (PubChem CID 90686929) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane.

Molecular Properties

Compound Name2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane
PubChem CID90686929
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane
SMILESC=C1CC(C(C)(C)C(C)CCC)C1C(C)CC
InChIInChI=1S/C17H32/c1-8-10-14(5)17(6,7)15-11-13(4)16(15)12(3)9-2/h12,14-16H,4,8-11H2,1-3,5-7H3
InChIKeyPCOZCTDSILEIHT-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane?
The IUPAC name of 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane (CID 90686929) is 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane.
What is the SMILES notation for 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane?
The canonical SMILES for 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane is C=C1CC(C(C)(C)C(C)CCC)C1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane?
The InChIKey is PCOZCTDSILEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-10-14(5)17(6,7)15-11-13(4)16(15)12(3)9-2/h12,14-16H,4,8-11H2,1-3,5-7H3.
What are the key properties of 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane?
2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane has a molecular weight of 236.44 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane is sourced from PubChem (CID 90686929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).