(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate

C10H18O4S — CID 144775228

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate
SMILESCCSCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C10H18O4S/c1-4-15-7-9(11)12-5-8-6-13-10(2,3)14-8/h8H,4-7H2,1-3H3
InChIKeyOQIGOXUKFVRRQM-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.43
Rot. Bonds5

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate (PubChem CID 144775228) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate
PubChem CID144775228
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate
SMILESCCSCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C10H18O4S/c1-4-15-7-9(11)12-5-8-6-13-10(2,3)14-8/h8H,4-7H2,1-3H3
InChIKeyOQIGOXUKFVRRQM-UHFFFAOYSA-N
XLogP1.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate
CID 132839018
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 91593989
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
CID 163831813
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl octanoate
CID 11230661
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl heptacosanoate
CID 71770385
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613
2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid
CID 146446180
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 8-bromooctanoate
CID 10688302
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-propylpentanoate;ethane
CID 142383371
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-methylcyclohexane-1-carboxylate
CID 54127614
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 13-methyltetradecanoate
CID 10760747
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 16-methylheptadecanoate
CID 10834719

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate (CID 144775228) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate is CCSCC(=O)OCC1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate?
The InChIKey is OQIGOXUKFVRRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-4-15-7-9(11)12-5-8-6-13-10(2,3)14-8/h8H,4-7H2,1-3H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate has a molecular weight of 234.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate is sourced from PubChem (CID 144775228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).