methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid

C13H22O6 — CID 161258796

IUPACmethyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
SMILESCC1(C(=O)O)CCCO1.COC(=O)C1(C)CCCO1
InChIInChI=1S/C7H12O3.C6H10O3/c1-7(6(8)9-2)4-3-5-10-7;1-6(5(7)8)3-2-4-9-6/h3-5H2,1-2H3;2-4H2,1H3,(H,7,8)
InChIKeyVCGWXBXJXHANCZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.37
Rot. Bonds2

About methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid

methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid (PubChem CID 161258796) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid.

Molecular Properties

Compound Namemethyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
PubChem CID161258796
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Namemethyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
SMILESCC1(C(=O)O)CCCO1.COC(=O)C1(C)CCCO1
InChIInChI=1S/C7H12O3.C6H10O3/c1-7(6(8)9-2)4-3-5-10-7;1-6(5(7)8)3-2-4-9-6/h3-5H2,1-2H3;2-4H2,1H3,(H,7,8)
InChIKeyVCGWXBXJXHANCZ-UHFFFAOYSA-N
XLogP1.37
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 2-methoxyoxolane-2-carboxylate
CID 86060658
tert-butyl 3-[(2R)-2-methyloxolan-2-yl]-3-oxopropanoate
CID 125485787
methyl 2-phenyloxolane-2-carboxylate
CID 164680656
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855
methyl 5-methoxy-2-methyloxane-2-carboxylate
CID 149285012
methyl (2-methyloxolan-2-yl) carbonate
CID 139836783
ethyl N-[[(2S)-2-methyloxolane-2-carbonyl]amino]carbamate
CID 99634055
ethane;2-methyloxane-2-carboxamide
CID 171543445
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
CID 134367700

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid?
The IUPAC name of methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid (CID 161258796) is methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid.
What is the SMILES notation for methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid?
The canonical SMILES for methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid is CC1(C(=O)O)CCCO1.COC(=O)C1(C)CCCO1.
What is the InChIKey of methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid?
The InChIKey is VCGWXBXJXHANCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C6H10O3/c1-7(6(8)9-2)4-3-5-10-7;1-6(5(7)8)3-2-4-9-6/h3-5H2,1-2H3;2-4H2,1H3,(H,7,8).
What are the key properties of methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid?
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid has a molecular weight of 274.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid is sourced from PubChem (CID 161258796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).