methyl (2-methyloxolan-2-yl) carbonate

C7H12O4 — CID 139836783

IUPACmethyl (2-methyloxolan-2-yl) carbonate
SMILESCOC(=O)OC1(C)CCCO1
InChIInChI=1S/C7H12O4/c1-7(4-3-5-10-7)11-6(8)9-2/h3-5H2,1-2H3
InChIKeyUPUGMLYLILCYBW-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.30
Rot. Bonds1

About methyl (2-methyloxolan-2-yl) carbonate

methyl (2-methyloxolan-2-yl) carbonate (PubChem CID 139836783) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl (2-methyloxolan-2-yl) carbonate.

Molecular Properties

Compound Namemethyl (2-methyloxolan-2-yl) carbonate
PubChem CID139836783
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl (2-methyloxolan-2-yl) carbonate
SMILESCOC(=O)OC1(C)CCCO1
InChIInChI=1S/C7H12O4/c1-7(4-3-5-10-7)11-6(8)9-2/h3-5H2,1-2H3
InChIKeyUPUGMLYLILCYBW-UHFFFAOYSA-N
XLogP1.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1-methylcycloheptyl) carbonate
CID 172553116
[(2S)-2-methyloxolan-2-yl] (1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 124638032
2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
CID 139751509
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796
methyl 2-methoxyoxolane-2-carboxylate
CID 86060658
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate
CID 141130139
1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
CID 18731139
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
2-methyl-N-propan-2-yloxolan-2-amine
CID 23268712
tetrakis(cyclohexane);methyl acetate
CID 159246653

Frequently Asked Questions

What is the IUPAC name of methyl (2-methyloxolan-2-yl) carbonate?
The IUPAC name of methyl (2-methyloxolan-2-yl) carbonate (CID 139836783) is methyl (2-methyloxolan-2-yl) carbonate.
What is the SMILES notation for methyl (2-methyloxolan-2-yl) carbonate?
The canonical SMILES for methyl (2-methyloxolan-2-yl) carbonate is COC(=O)OC1(C)CCCO1.
What is the InChIKey of methyl (2-methyloxolan-2-yl) carbonate?
The InChIKey is UPUGMLYLILCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(4-3-5-10-7)11-6(8)9-2/h3-5H2,1-2H3.
What are the key properties of methyl (2-methyloxolan-2-yl) carbonate?
methyl (2-methyloxolan-2-yl) carbonate has a molecular weight of 160.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-methyloxolan-2-yl) carbonate is sourced from PubChem (CID 139836783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).