methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate

C9H16O5S — CID 91695968

IUPACmethyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate
SMILESCOC(=O)CSC1CC(OC)OC1OC
InChIInChI=1S/C9H16O5S/c1-11-7(10)5-15-6-4-8(12-2)14-9(6)13-3/h6,8-9H,4-5H2,1-3H3
InChIKeyKVRYOGNTVUYZBC-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.63
Rot. Bonds5

About methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate

methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate (PubChem CID 91695968) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate
PubChem CID91695968
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Namemethyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate
SMILESCOC(=O)CSC1CC(OC)OC1OC
InChIInChI=1S/C9H16O5S/c1-11-7(10)5-15-6-4-8(12-2)14-9(6)13-3/h6,8-9H,4-5H2,1-3H3
InChIKeyKVRYOGNTVUYZBC-UHFFFAOYSA-N
XLogP0.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate
CID 99373377
methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
CID 10987731
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
methyl 2-(4-hydroxypyrrolidin-3-yl)sulfanylacetate
CID 63704753
methyl 2-(4-aminooxan-3-yl)sulfanylacetate
CID 64613955
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
methyl 2-[2-(methylamino)cyclododecyl]sulfanylacetate
CID 64613332
methyl 2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanylacetate
CID 79863385
methyl 2-[2-(methylamino)-5-propylcyclohexyl]sulfanylacetate
CID 64612906
methyl 2-(2-amino-5,5-dimethylcyclohexyl)sulfanylacetate
CID 64613951
methyl 2-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]acetate
CID 64615213
methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
CID 64613535

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate?
The IUPAC name of methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate (CID 91695968) is methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate is COC(=O)CSC1CC(OC)OC1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate?
The InChIKey is KVRYOGNTVUYZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-11-7(10)5-15-6-4-8(12-2)14-9(6)13-3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate?
methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate has a molecular weight of 236.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate is sourced from PubChem (CID 91695968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).