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

C10H16O4S — CID 117168375

IUPACmethyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCSC2)O1
InChIInChI=1S/C10H16O4S/c1-12-9(11)4-8-5-13-10(14-8)7-2-3-15-6-7/h7-8,10H,2-6H2,1H3
InChIKeyJNWOJOHQUQJBFQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.04
Rot. Bonds3

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

methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate (PubChem CID 117168375) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
PubChem CID117168375
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Namemethyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCSC2)O1
InChIInChI=1S/C10H16O4S/c1-12-9(11)4-8-5-13-10(14-8)7-2-3-15-6-7/h7-8,10H,2-6H2,1H3
InChIKeyJNWOJOHQUQJBFQ-UHFFFAOYSA-N
XLogP1.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Methyl 9-methyl-1,4-dioxa-7-thiaspiro[4.4]nonane-9-carboxylate
CID 21276506
Methyl 2-(5-acetyloxy-1,3-oxathiolan-2-yl)butanoate
CID 54127502
(2-Oxo-1,3-dioxolan-4-yl)methyl 5-oxothiolane-3-carboxylate
CID 152294079
ethyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylpropanoate
CID 11448030
Methyl 1,4-dioxa-7-thiaspiro[4.4]nonane-9-carboxylate
CID 15150363
Methyl 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168371
Methyl 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]acetate
CID 117168373
2-[2-(Thiolan-3-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168374
2-[2-Methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168376
Methyl 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168377
Methyl 2-[2-(thian-4-yl)-1,3-dioxolan-4-yl]acetate
CID 117168473
Methyl 2-[2-methyl-2-(thian-4-yl)-1,3-dioxolan-4-yl]acetate
CID 117168475

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate (CID 117168375) is methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(C2CCSC2)O1.
What is the InChIKey of methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is JNWOJOHQUQJBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-12-9(11)4-8-5-13-10(14-8)7-2-3-15-6-7/h7-8,10H,2-6H2,1H3.
What are the key properties of methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 232.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117168375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).