bis[2-(2-hydroxypropoxy)ethyl] carbonate

C11H22O7 — CID 141093104

IUPACbis[2-(2-hydroxypropoxy)ethyl] carbonate
SMILESCC(O)COCCOC(=O)OCCOCC(C)O
InChIInChI=1S/C11H22O7/c1-9(12)7-15-3-5-17-11(14)18-6-4-16-8-10(2)13/h9-10,12-13H,3-8H2,1-2H3
InChIKeyHIAOVBXHFYTZCE-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.07
Rot. Bonds10

About bis[2-(2-hydroxypropoxy)ethyl] carbonate

bis[2-(2-hydroxypropoxy)ethyl] carbonate (PubChem CID 141093104) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is bis[2-(2-hydroxypropoxy)ethyl] carbonate.

Molecular Properties

Compound Namebis[2-(2-hydroxypropoxy)ethyl] carbonate
PubChem CID141093104
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Namebis[2-(2-hydroxypropoxy)ethyl] carbonate
SMILESCC(O)COCCOC(=O)OCCOCC(C)O
InChIInChI=1S/C11H22O7/c1-9(12)7-15-3-5-17-11(14)18-6-4-16-8-10(2)13/h9-10,12-13H,3-8H2,1-2H3
InChIKeyHIAOVBXHFYTZCE-UHFFFAOYSA-N
XLogP-0.07
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
CID 130220835
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
propanoic acid;1-propoxypropan-2-ol
CID 87505048
but-2-enedioic acid;1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 163538655
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165
2-(2-methylpropoxy)ethyl acetate
CID 520944

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-hydroxypropoxy)ethyl] carbonate?
The IUPAC name of bis[2-(2-hydroxypropoxy)ethyl] carbonate (CID 141093104) is bis[2-(2-hydroxypropoxy)ethyl] carbonate.
What is the SMILES notation for bis[2-(2-hydroxypropoxy)ethyl] carbonate?
The canonical SMILES for bis[2-(2-hydroxypropoxy)ethyl] carbonate is CC(O)COCCOC(=O)OCCOCC(C)O.
What is the InChIKey of bis[2-(2-hydroxypropoxy)ethyl] carbonate?
The InChIKey is HIAOVBXHFYTZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7/c1-9(12)7-15-3-5-17-11(14)18-6-4-16-8-10(2)13/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of bis[2-(2-hydroxypropoxy)ethyl] carbonate?
bis[2-(2-hydroxypropoxy)ethyl] carbonate has a molecular weight of 266.29 g/mol, XLogP of -0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-hydroxypropoxy)ethyl] carbonate is sourced from PubChem (CID 141093104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).