(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane

C8H16OS — CID 131854769

IUPAC(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane
SMILESCC(C)[C@]1(C)OC[C@H](C)S1
InChIInChI=1S/C8H16OS/c1-6(2)8(4)9-5-7(3)10-8/h6-7H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyDSOFCEYCLIYWLF-JGVFFNPUSA-N
MW160.28 g/mol
LogP2.51
Rot. Bonds1

About (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane

(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane (PubChem CID 131854769) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane
PubChem CID131854769
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane
SMILESCC(C)[C@]1(C)OC[C@H](C)S1
InChIInChI=1S/C8H16OS/c1-6(2)8(4)9-5-7(3)10-8/h6-7H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyDSOFCEYCLIYWLF-JGVFFNPUSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2-(4-methylphenyl)-1,3-oxathiolane
CID 86758194
(2S)-2,4-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 155082762
2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
CID 117228417
2,2-di(propan-2-yl)-1,3-dithiolane-4,5-diol
CID 88712022
(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane
CID 59062063
(4R)-3-methoxy-2,3,4-trimethyl-2-propan-2-yloxolane
CID 176679204
1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 176797238
6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170792756
2,2-di(propan-2-yl)-1,3-dioxan-5-ol
CID 130130321
1-methyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 134166265
2,5,6-trimethyl-2-propan-2-ylthiane
CID 130207541
6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane
CID 130529084

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane?
The IUPAC name of (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane (CID 131854769) is (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane.
What is the SMILES notation for (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane?
The canonical SMILES for (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane is CC(C)[C@]1(C)OC[C@H](C)S1.
What is the InChIKey of (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane?
The InChIKey is DSOFCEYCLIYWLF-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)8(4)9-5-7(3)10-8/h6-7H,5H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane?
(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane has a molecular weight of 160.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane is sourced from PubChem (CID 131854769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).