1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane

C19H38 — CID 123853470

IUPAC1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane
SMILESCCC(C)(C)C1(CC(C)(C)C)CCCCC(C)(C)C1
InChIInChI=1S/C19H38/c1-9-18(7,8)19(14-16(2,3)4)13-11-10-12-17(5,6)15-19/h9-15H2,1-8H3
InChIKeyHUGGZUVSYWVQSX-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.84
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane

1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane (PubChem CID 123853470) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane
PubChem CID123853470
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane
SMILESCCC(C)(C)C1(CC(C)(C)C)CCCCC(C)(C)C1
InChIInChI=1S/C19H38/c1-9-18(7,8)19(14-16(2,3)4)13-11-10-12-17(5,6)15-19/h9-15H2,1-8H3
InChIKeyHUGGZUVSYWVQSX-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane 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 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane?
The IUPAC name of 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane (CID 123853470) is 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane is CCC(C)(C)C1(CC(C)(C)C)CCCCC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane?
The InChIKey is HUGGZUVSYWVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-9-18(7,8)19(14-16(2,3)4)13-11-10-12-17(5,6)15-19/h9-15H2,1-8H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane?
1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane has a molecular weight of 266.51 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane is sourced from PubChem (CID 123853470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).