[2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate

C10H18O7 — CID 164890318

IUPAC[2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate
SMILESCCC(CO)(COC(=O)OC)COC(=O)OC
InChIInChI=1S/C10H18O7/c1-4-10(5-11,6-16-8(12)14-2)7-17-9(13)15-3/h11H,4-7H2,1-3H3
InChIKeyXLXXPMIHWSUOJK-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.94
Rot. Bonds6

About [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate

[2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate (PubChem CID 164890318) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate
PubChem CID164890318
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name[2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate
SMILESCCC(CO)(COC(=O)OC)COC(=O)OC
InChIInChI=1S/C10H18O7/c1-4-10(5-11,6-16-8(12)14-2)7-17-9(13)15-3/h11H,4-7H2,1-3H3
InChIKeyXLXXPMIHWSUOJK-UHFFFAOYSA-N
XLogP0.94
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2'-[Methylenebis(oxymethylene)]bis[2-ethyl-1,3-propanediol]
CID 14847864
5-Ethyl-5-(hydroxymethyl)-1,3-dioxan-2-one
CID 11051942
2,2-Bis(hydroxymethyl)butyl methyl carbonate
CID 20693244
Triethoxytrimeth ylolpropane
CID 129774101
2-Ethyl-2-((2-((hydroxymethoxy)methyl)-2-(hydroxymethyl)butoxy)methyl)propane-1,3-diol
CID 3024890
2-Ethyl-2-((methoxymethoxy)methyl)-1,3-propanediol
CID 15066032
2-Ethyl-2-(((2-(hydroxymethyl)butoxy)methoxy)methyl)propane-1,3-diol
CID 3023231
Carbonic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 17774564
2,2-Bis(hydroxymethyl)butyl hydrogen carbonate
CID 18939224
(3-Hydroxy-2,2-dimethylpropyl) propyl carbonate
CID 18991113
(3-Hydroxy-2,2-dimethylpropyl) methyl carbonate
CID 18991114
2-(Dihydroxymethoxymethyl)-2-ethylpropane-1,3-diol
CID 20200689

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate?
The IUPAC name of [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate (CID 164890318) is [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate.
What is the SMILES notation for [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate?
The canonical SMILES for [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate is CCC(CO)(COC(=O)OC)COC(=O)OC.
What is the InChIKey of [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate?
The InChIKey is XLXXPMIHWSUOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c1-4-10(5-11,6-16-8(12)14-2)7-17-9(13)15-3/h11H,4-7H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate?
[2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate has a molecular weight of 250.25 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-(methoxycarbonyloxymethyl)butyl] methyl carbonate is sourced from PubChem (CID 164890318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).