2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol

C11H22O2S — CID 114621877

IUPAC2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol
SMILESCC(CO)SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H22O2S/c1-8(7-12)14-9-6-10(2,3)13-11(9,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyBOTMJODFNGCECI-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.45
Rot. Bonds3

About 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol

2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol (PubChem CID 114621877) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol
PubChem CID114621877
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol
SMILESCC(CO)SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H22O2S/c1-8(7-12)14-9-6-10(2,3)13-11(9,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyBOTMJODFNGCECI-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylbutanoate
CID 114621054
S-(2,2,5,5-tetramethyloxolan-3-yl) ethanethioate
CID 130754662
3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622050
2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine
CID 115716195
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
4-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylaniline
CID 114621520
N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928059
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931
3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane
CID 114624288

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol (CID 114621877) is 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol is CC(CO)SC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol?
The InChIKey is BOTMJODFNGCECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-8(7-12)14-9-6-10(2,3)13-11(9,4)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol?
2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol has a molecular weight of 218.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 114621877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).