2-methyl-5-methylsulfonyl-2-propylpentan-1-ol

C10H22O3S — CID 66025452

IUPAC2-methyl-5-methylsulfonyl-2-propylpentan-1-ol
SMILESCCCC(C)(CO)CCCS(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-4-6-10(2,9-11)7-5-8-14(3,12)13/h11H,4-9H2,1-3H3
InChIKeyMTXQGOMMJIPGJN-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.61
Rot. Bonds7

About 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol

2-methyl-5-methylsulfonyl-2-propylpentan-1-ol (PubChem CID 66025452) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-2-propylpentan-1-ol
PubChem CID66025452
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name2-methyl-5-methylsulfonyl-2-propylpentan-1-ol
SMILESCCCC(C)(CO)CCCS(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-4-6-10(2,9-11)7-5-8-14(3,12)13/h11H,4-9H2,1-3H3
InChIKeyMTXQGOMMJIPGJN-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-propylpentane-1,5-diol
CID 18956838
2-methyl-2-propyldecan-1-ol
CID 66025468
2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine
CID 55161198
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2-methyl-2-pentylnonan-1-ol
CID 138503898
N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195562
5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tris(propane-1-sulfonic acid)
CID 160705274
tris(butane-1-sulfonic acid);2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 160534419
4,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 63192481
2-(3-ethylsulfonylpropyl)-2-propylpropane-1,3-diol
CID 79450281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol?
The IUPAC name of 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol (CID 66025452) is 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol?
The canonical SMILES for 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol is CCCC(C)(CO)CCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol?
The InChIKey is MTXQGOMMJIPGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-4-6-10(2,9-11)7-5-8-14(3,12)13/h11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol?
2-methyl-5-methylsulfonyl-2-propylpentan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-2-propylpentan-1-ol is sourced from PubChem (CID 66025452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).