1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane

C11H24O3S — CID 130350882

IUPAC1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane
SMILESCOCC(C)(C)CC(C)(C)CS(C)(=O)=O
InChIInChI=1S/C11H24O3S/c1-10(2,8-14-5)7-11(3,4)9-15(6,12)13/h7-9H2,1-6H3
InChIKeyQCZNSACSRDJKFL-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.12
Rot. Bonds6

About 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane

1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane (PubChem CID 130350882) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane.

Molecular Properties

Compound Name1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane
PubChem CID130350882
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane
SMILESCOCC(C)(C)CC(C)(C)CS(C)(=O)=O
InChIInChI=1S/C11H24O3S/c1-10(2,8-14-5)7-11(3,4)9-15(6,12)13/h7-9H2,1-6H3
InChIKeyQCZNSACSRDJKFL-UHFFFAOYSA-N
XLogP2.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane?
The IUPAC name of 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane (CID 130350882) is 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane.
What is the SMILES notation for 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane?
The canonical SMILES for 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane is COCC(C)(C)CC(C)(C)CS(C)(=O)=O.
What is the InChIKey of 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane?
The InChIKey is QCZNSACSRDJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-10(2,8-14-5)7-11(3,4)9-15(6,12)13/h7-9H2,1-6H3.
What are the key properties of 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane?
1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane has a molecular weight of 236.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,4,4-tetramethyl-5-methylsulfonylpentane is sourced from PubChem (CID 130350882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).