methyl 2,3-dimethyloxolane-3-carboxylate

C8H14O3 — CID 130674269

IUPACmethyl 2,3-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1(C)CCOC1C
InChIInChI=1S/C8H14O3/c1-6-8(2,4-5-11-6)7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyKHWTUPMRXCSQGQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds1

About methyl 2,3-dimethyloxolane-3-carboxylate

methyl 2,3-dimethyloxolane-3-carboxylate (PubChem CID 130674269) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2,3-dimethyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethyloxolane-3-carboxylate
PubChem CID130674269
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 2,3-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1(C)CCOC1C
InChIInChI=1S/C8H14O3/c1-6-8(2,4-5-11-6)7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyKHWTUPMRXCSQGQ-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-methyl-2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 82717879
methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
CID 82719303
methyl 3,4-dimethyloxolane-3-carboxylate
CID 132519083
methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
CID 82717713
methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
CID 124681147
methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426381
methyl (1S,5S,6R)-6-tert-butyl-2-oxabicyclo[3.1.0]hexane-5-carboxylate
CID 11030788
trans-methyl (1S,2R)-2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 126686787
methyl 2-chloro-5-methyl-1,6-dioxaspiro[2.5]octane-2-carboxylate
CID 103354894
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82717988

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyloxolane-3-carboxylate?
The IUPAC name of methyl 2,3-dimethyloxolane-3-carboxylate (CID 130674269) is methyl 2,3-dimethyloxolane-3-carboxylate.
What is the SMILES notation for methyl 2,3-dimethyloxolane-3-carboxylate?
The canonical SMILES for methyl 2,3-dimethyloxolane-3-carboxylate is COC(=O)C1(C)CCOC1C.
What is the InChIKey of methyl 2,3-dimethyloxolane-3-carboxylate?
The InChIKey is KHWTUPMRXCSQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-8(2,4-5-11-6)7(9)10-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2,3-dimethyloxolane-3-carboxylate?
methyl 2,3-dimethyloxolane-3-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyloxolane-3-carboxylate is sourced from PubChem (CID 130674269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).