4,4-dimethylpentylsulfonylmethylcyclopropane

C11H22O2S — CID 159579445

IUPAC4,4-dimethylpentylsulfonylmethylcyclopropane
SMILESCC(C)(C)CCCS(=O)(=O)CC1CC1
InChIInChI=1S/C11H22O2S/c1-11(2,3)7-4-8-14(12,13)9-10-5-6-10/h10H,4-9H2,1-3H3
InChIKeyWVFYWKHUTRTNLK-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.64
Rot. Bonds5

About 4,4-dimethylpentylsulfonylmethylcyclopropane

4,4-dimethylpentylsulfonylmethylcyclopropane (PubChem CID 159579445) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 4,4-dimethylpentylsulfonylmethylcyclopropane.

Molecular Properties

Compound Name4,4-dimethylpentylsulfonylmethylcyclopropane
PubChem CID159579445
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name4,4-dimethylpentylsulfonylmethylcyclopropane
SMILESCC(C)(C)CCCS(=O)(=O)CC1CC1
InChIInChI=1S/C11H22O2S/c1-11(2,3)7-4-8-14(12,13)9-10-5-6-10/h10H,4-9H2,1-3H3
InChIKeyWVFYWKHUTRTNLK-UHFFFAOYSA-N
XLogP2.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-(propylsulfonyl)butane
CID 2172840
4-Tert-butylthiane 1,1-dioxide
CID 423309
3-t-Butylsulfolane
CID 20767965
3-(Butylsulfonyl)-2,2-dimethylbutane
CID 129805925
(2S,3S)-2,3-ditert-butylthiirane 1,1-dioxide
CID 134886641
1-Ethylsulfonyl-4,4-dimethylpentane
CID 11148231
1-Ethylsulfonyl-3,3-dimethylbutane
CID 11367335
2,3-Ditert-butylthiirane 1,1-dioxide
CID 12635400
3-Butylsulfonyl-2-methylhexane
CID 20373455
1-Tert-butylsulfonyl-4,4-dimethylpentane
CID 20657893
1-Ethylsulfonyl-4-methylpentane
CID 20755050
1,2-Diethyl-1-(methylsulfonylmethyl)cyclopropane
CID 20769620

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentylsulfonylmethylcyclopropane?
The IUPAC name of 4,4-dimethylpentylsulfonylmethylcyclopropane (CID 159579445) is 4,4-dimethylpentylsulfonylmethylcyclopropane.
What is the SMILES notation for 4,4-dimethylpentylsulfonylmethylcyclopropane?
The canonical SMILES for 4,4-dimethylpentylsulfonylmethylcyclopropane is CC(C)(C)CCCS(=O)(=O)CC1CC1.
What is the InChIKey of 4,4-dimethylpentylsulfonylmethylcyclopropane?
The InChIKey is WVFYWKHUTRTNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-11(2,3)7-4-8-14(12,13)9-10-5-6-10/h10H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethylpentylsulfonylmethylcyclopropane?
4,4-dimethylpentylsulfonylmethylcyclopropane has a molecular weight of 218.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentylsulfonylmethylcyclopropane is sourced from PubChem (CID 159579445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).