1-tert-butylsulfonyl-4,4-dimethylpentane

C11H24O2S — CID 20657893

IUPAC1-tert-butylsulfonyl-4,4-dimethylpentane
SMILESCC(C)(C)CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O2S/c1-10(2,3)8-7-9-14(12,13)11(4,5)6/h7-9H2,1-6H3
InChIKeyRYMKDFCJKOLPAW-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.03
Rot. Bonds3

About 1-tert-butylsulfonyl-4,4-dimethylpentane

1-tert-butylsulfonyl-4,4-dimethylpentane (PubChem CID 20657893) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-4,4-dimethylpentane.

Molecular Properties

Compound Name1-tert-butylsulfonyl-4,4-dimethylpentane
PubChem CID20657893
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name1-tert-butylsulfonyl-4,4-dimethylpentane
SMILESCC(C)(C)CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24O2S/c1-10(2,3)8-7-9-14(12,13)11(4,5)6/h7-9H2,1-6H3
InChIKeyRYMKDFCJKOLPAW-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylsulfonyl-4,4-dimethylpentane 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-tert-butylsulfonyl-4,4-dimethylpentane?
The IUPAC name of 1-tert-butylsulfonyl-4,4-dimethylpentane (CID 20657893) is 1-tert-butylsulfonyl-4,4-dimethylpentane.
What is the SMILES notation for 1-tert-butylsulfonyl-4,4-dimethylpentane?
The canonical SMILES for 1-tert-butylsulfonyl-4,4-dimethylpentane is CC(C)(C)CCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfonyl-4,4-dimethylpentane?
The InChIKey is RYMKDFCJKOLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-10(2,3)8-7-9-14(12,13)11(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1-tert-butylsulfonyl-4,4-dimethylpentane?
1-tert-butylsulfonyl-4,4-dimethylpentane has a molecular weight of 220.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-4,4-dimethylpentane is sourced from PubChem (CID 20657893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).