2,3-dimethyl-1-propan-2-ylsulfonylpentane

C10H22O2S — CID 166894384

IUPAC2,3-dimethyl-1-propan-2-ylsulfonylpentane
SMILESCCC(C)C(C)CS(=O)(=O)C(C)C
InChIInChI=1S/C10H22O2S/c1-6-9(4)10(5)7-13(11,12)8(2)3/h8-10H,6-7H2,1-5H3
InChIKeyQZXVYYOGDJWPHJ-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.49
Rot. Bonds5

About 2,3-dimethyl-1-propan-2-ylsulfonylpentane

2,3-dimethyl-1-propan-2-ylsulfonylpentane (PubChem CID 166894384) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2,3-dimethyl-1-propan-2-ylsulfonylpentane.

Molecular Properties

Compound Name2,3-dimethyl-1-propan-2-ylsulfonylpentane
PubChem CID166894384
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2,3-dimethyl-1-propan-2-ylsulfonylpentane
SMILESCCC(C)C(C)CS(=O)(=O)C(C)C
InChIInChI=1S/C10H22O2S/c1-6-9(4)10(5)7-13(11,12)8(2)3/h8-10H,6-7H2,1-5H3
InChIKeyQZXVYYOGDJWPHJ-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83639759
5-Methyl-1-methylsulfonylhexane
CID 13525653
1-Ethylsulfonyl-3-methylbutane
CID 20752918
3-t-Butylsulfolane
CID 20767965
Ethylsulfonylmethylcyclohexane
CID 21031029
2-Methyl-3-methylsulfonylhexane
CID 123139265
3,4-Diethyl-3-fluorothiane 1,1-dioxide
CID 140071281
3-Ethyl-3-fluoro-4-methylthiepane 1,1-dioxide
CID 140071338
4-Ethyl-3-fluoro-3-methylthiane 1,1-dioxide
CID 140071346
4-Ethyl-3-fluoro-3-methylthiepane 1,1-dioxide
CID 140071364

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propan-2-ylsulfonylpentane?
The IUPAC name of 2,3-dimethyl-1-propan-2-ylsulfonylpentane (CID 166894384) is 2,3-dimethyl-1-propan-2-ylsulfonylpentane.
What is the SMILES notation for 2,3-dimethyl-1-propan-2-ylsulfonylpentane?
The canonical SMILES for 2,3-dimethyl-1-propan-2-ylsulfonylpentane is CCC(C)C(C)CS(=O)(=O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-propan-2-ylsulfonylpentane?
The InChIKey is QZXVYYOGDJWPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-6-9(4)10(5)7-13(11,12)8(2)3/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-propan-2-ylsulfonylpentane?
2,3-dimethyl-1-propan-2-ylsulfonylpentane has a molecular weight of 206.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propan-2-ylsulfonylpentane is sourced from PubChem (CID 166894384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).