2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride

C8H17ClO3S — CID 155822822

IUPAC2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride
SMILESCOC(CC(C)(C)C)CS(=O)(=O)Cl
InChIInChI=1S/C8H17ClO3S/c1-8(2,3)5-7(12-4)6-13(9,10)11/h7H,5-6H2,1-4H3
InChIKeyDOEXFQFYBNGMFH-UHFFFAOYSA-N
MW228.74 g/mol
LogP2.01
Rot. Bonds4

About 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride

2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride (PubChem CID 155822822) has the molecular formula C8H17ClO3S and a molecular weight of 228.74 g/mol. Its IUPAC name is 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride
PubChem CID155822822
Molecular FormulaC8H17ClO3S
Molecular Weight228.74 g/mol
Exact Mass228.06
IUPAC Name2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride
SMILESCOC(CC(C)(C)C)CS(=O)(=O)Cl
InChIInChI=1S/C8H17ClO3S/c1-8(2,3)5-7(12-4)6-13(9,10)11/h7H,5-6H2,1-4H3
InChIKeyDOEXFQFYBNGMFH-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride?
The IUPAC name of 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride (CID 155822822) is 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride.
What is the SMILES notation for 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride?
The canonical SMILES for 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride is COC(CC(C)(C)C)CS(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride?
The InChIKey is DOEXFQFYBNGMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO3S/c1-8(2,3)5-7(12-4)6-13(9,10)11/h7H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride?
2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride has a molecular weight of 228.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride is sourced from PubChem (CID 155822822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).