1-ethylsulfonyl-4,4-dimethylpentane

C9H20O2S — CID 11148231

IUPAC1-ethylsulfonyl-4,4-dimethylpentane
SMILESCCS(=O)(=O)CCCC(C)(C)C
InChIInChI=1S/C9H20O2S/c1-5-12(10,11)8-6-7-9(2,3)4/h5-8H2,1-4H3
InChIKeyQXZMMMBYMDAKSA-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.25
Rot. Bonds4

About 1-ethylsulfonyl-4,4-dimethylpentane

1-ethylsulfonyl-4,4-dimethylpentane (PubChem CID 11148231) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 1-ethylsulfonyl-4,4-dimethylpentane.

Molecular Properties

Compound Name1-ethylsulfonyl-4,4-dimethylpentane
PubChem CID11148231
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name1-ethylsulfonyl-4,4-dimethylpentane
SMILESCCS(=O)(=O)CCCC(C)(C)C
InChIInChI=1S/C9H20O2S/c1-5-12(10,11)8-6-7-9(2,3)4/h5-8H2,1-4H3
InChIKeyQXZMMMBYMDAKSA-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
CID 65097556
4,4-dimethylpentylsulfonylmethylcyclopropane
CID 159579445
5-ethylsulfonyl-2,2-dimethylpentanenitrile
CID 65263387
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
3-ethyl-6-ethylsulfonylhexan-3-ol
CID 65144971
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
CID 66039843
2-cyclopropyl-5-ethylsulfonylpentan-2-ol
CID 65147052
2-(3-ethylsulfonylpropoxy)-2-methylpropane
CID 157310834
6,6-dimethyl-1-methylsulfonylheptane
CID 157459266

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4,4-dimethylpentane?
The IUPAC name of 1-ethylsulfonyl-4,4-dimethylpentane (CID 11148231) is 1-ethylsulfonyl-4,4-dimethylpentane.
What is the SMILES notation for 1-ethylsulfonyl-4,4-dimethylpentane?
The canonical SMILES for 1-ethylsulfonyl-4,4-dimethylpentane is CCS(=O)(=O)CCCC(C)(C)C.
What is the InChIKey of 1-ethylsulfonyl-4,4-dimethylpentane?
The InChIKey is QXZMMMBYMDAKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-5-12(10,11)8-6-7-9(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-4,4-dimethylpentane?
1-ethylsulfonyl-4,4-dimethylpentane has a molecular weight of 192.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4,4-dimethylpentane is sourced from PubChem (CID 11148231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).