4-methoxycarbonyloxybutan-2-yl methyl carbonate

C8H14O6 — CID 102005432

IUPAC4-methoxycarbonyloxybutan-2-yl methyl carbonate
SMILESCOC(=O)OCCC(C)OC(=O)OC
InChIInChI=1S/C8H14O6/c1-6(14-8(10)12-3)4-5-13-7(9)11-2/h6H,4-5H2,1-3H3
InChIKeyQKCDEADUOLPHSL-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.33
Rot. Bonds4

About 4-methoxycarbonyloxybutan-2-yl methyl carbonate

4-methoxycarbonyloxybutan-2-yl methyl carbonate (PubChem CID 102005432) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 4-methoxycarbonyloxybutan-2-yl methyl carbonate.

Molecular Properties

Compound Name4-methoxycarbonyloxybutan-2-yl methyl carbonate
PubChem CID102005432
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name4-methoxycarbonyloxybutan-2-yl methyl carbonate
SMILESCOC(=O)OCCC(C)OC(=O)OC
InChIInChI=1S/C8H14O6/c1-6(14-8(10)12-3)4-5-13-7(9)11-2/h6H,4-5H2,1-3H3
InChIKeyQKCDEADUOLPHSL-UHFFFAOYSA-N
XLogP1.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
3-methoxybutoxycarbonyloxyperoxy 3-methoxybutyl carbonate
CID 91446158
3-methoxybutoxy 3-methoxybutyl carbonate
CID 22901749
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
CID 131855497
butyl 3-methoxybutyl carbonate
CID 87247600
[(3R)-3-[(2S)-2-chloropropanoyl]oxybutyl] (2S)-2-chloropropanoate
CID 98104689
dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol
CID 161167335
tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
CID 158329975
[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
CID 139407331
3-carbonochloridoyloxybutyl propanoate
CID 154944662

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyloxybutan-2-yl methyl carbonate?
The IUPAC name of 4-methoxycarbonyloxybutan-2-yl methyl carbonate (CID 102005432) is 4-methoxycarbonyloxybutan-2-yl methyl carbonate.
What is the SMILES notation for 4-methoxycarbonyloxybutan-2-yl methyl carbonate?
The canonical SMILES for 4-methoxycarbonyloxybutan-2-yl methyl carbonate is COC(=O)OCCC(C)OC(=O)OC.
What is the InChIKey of 4-methoxycarbonyloxybutan-2-yl methyl carbonate?
The InChIKey is QKCDEADUOLPHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-6(14-8(10)12-3)4-5-13-7(9)11-2/h6H,4-5H2,1-3H3.
What are the key properties of 4-methoxycarbonyloxybutan-2-yl methyl carbonate?
4-methoxycarbonyloxybutan-2-yl methyl carbonate has a molecular weight of 206.19 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyloxybutan-2-yl methyl carbonate is sourced from PubChem (CID 102005432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).