1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane

C14H30O2S — CID 88834711

IUPAC1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
SMILESCCC(C)C(C)CS(=O)(=O)CC(C)C(C)CC
InChIInChI=1S/C14H30O2S/c1-7-11(3)13(5)9-17(15,16)10-14(6)12(4)8-2/h11-14H,7-10H2,1-6H3
InChIKeyCVEFEXNUTSJRBP-UHFFFAOYSA-N
MW262.46 g/mol
LogP3.77
Rot. Bonds8

About 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane

1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane (PubChem CID 88834711) has the molecular formula C14H30O2S and a molecular weight of 262.46 g/mol. Its IUPAC name is 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane.

Molecular Properties

Compound Name1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
PubChem CID88834711
Molecular FormulaC14H30O2S
Molecular Weight262.46 g/mol
Exact Mass262.20
IUPAC Name1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
SMILESCCC(C)C(C)CS(=O)(=O)CC(C)C(C)CC
InChIInChI=1S/C14H30O2S/c1-7-11(3)13(5)9-17(15,16)10-14(6)12(4)8-2/h11-14H,7-10H2,1-6H3
InChIKeyCVEFEXNUTSJRBP-UHFFFAOYSA-N
XLogP3.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-propan-2-ylsulfonylpentane
CID 166894384
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
1-ethylsulfonyl-2,3-dimethylbutane
CID 150789687
3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane
CID 174646799
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2-fluoro-1-(2-fluoropropylsulfonyl)propane
CID 87624365
CID 91437014
CID 91437014
2,3-dimethyl-1-propylsulfonylbutane
CID 172857975
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
3-methylpentan-2-ylsulfonyl 3-methylpentane-2-sulfonate
CID 87941815
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane?
The IUPAC name of 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane (CID 88834711) is 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane.
What is the SMILES notation for 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane?
The canonical SMILES for 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane is CCC(C)C(C)CS(=O)(=O)CC(C)C(C)CC.
What is the InChIKey of 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane?
The InChIKey is CVEFEXNUTSJRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S/c1-7-11(3)13(5)9-17(15,16)10-14(6)12(4)8-2/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane?
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane has a molecular weight of 262.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane is sourced from PubChem (CID 88834711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).