methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate

C10H16O6S — CID 117168861

IUPACmethyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCCS2(=O)=O)O1
InChIInChI=1S/C10H16O6S/c1-14-9(11)5-7-6-15-10(16-7)8-3-2-4-17(8,12)13/h7-8,10H,2-6H2,1H3
InChIKeySJECNFIVKPDPLI-UHFFFAOYSA-N
MW264.30 g/mol
LogP-0.13
Rot. Bonds3

About methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate

methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate (PubChem CID 117168861) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate
PubChem CID117168861
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Namemethyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCCS2(=O)=O)O1
InChIInChI=1S/C10H16O6S/c1-14-9(11)5-7-6-15-10(16-7)8-3-2-4-17(8,12)13/h7-8,10H,2-6H2,1H3
InChIKeySJECNFIVKPDPLI-UHFFFAOYSA-N
XLogP-0.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate with MolForge

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Related Compounds

2-[2-(1,1-Dioxothiolan-3-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168370
Methyl 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168371
2-[2-(1,1-Dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168372
Methyl 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]acetate
CID 117168373
Methyl 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]acetate
CID 117168469
2-[2-[(1,1-Dioxothiolan-3-yl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117168566
Methyl 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
CID 117168567
Methyl 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate
CID 117168569
Methyl 2-[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]acetate
CID 117168571
Methyl 2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-dioxolan-4-yl]acetate
CID 117168665
Methyl 2-[2-(1,1-dioxothian-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168763
2-[2-(1,1-Dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168860

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate (CID 117168861) is methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(C2CCCS2(=O)=O)O1.
What is the InChIKey of methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is SJECNFIVKPDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S/c1-14-9(11)5-7-6-15-10(16-7)8-3-2-4-17(8,12)13/h7-8,10H,2-6H2,1H3.
What are the key properties of methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 264.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,1-dioxothiolan-2-yl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117168861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).