2-hydroxyethyl acetate;propane-1,2-diol

C7H16O5 — CID 158780453

IUPAC2-hydroxyethyl acetate;propane-1,2-diol
SMILESCC(=O)OCCO.CC(O)CO
InChIInChI=1S/C4H8O3.C3H8O2/c1-4(6)7-3-2-5;1-3(5)2-4/h5H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyIQZWRXAQPLNISS-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.10
Rot. Bonds3

About 2-hydroxyethyl acetate;propane-1,2-diol

2-hydroxyethyl acetate;propane-1,2-diol (PubChem CID 158780453) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-hydroxyethyl acetate;propane-1,2-diol.

Molecular Properties

Compound Name2-hydroxyethyl acetate;propane-1,2-diol
PubChem CID158780453
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name2-hydroxyethyl acetate;propane-1,2-diol
SMILESCC(=O)OCCO.CC(O)CO
InChIInChI=1S/C4H8O3.C3H8O2/c1-4(6)7-3-2-5;1-3(5)2-4/h5H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyIQZWRXAQPLNISS-UHFFFAOYSA-N
XLogP-1.10
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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ethanol;2-hydroxypropyl acetate
CID 88717262
butyl acetate;2-methylpropan-1-ol
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5-hydroxyhexyl acetate;hydrate
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1,2-dimethoxyethane;propane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl acetate;propane-1,2-diol?
The IUPAC name of 2-hydroxyethyl acetate;propane-1,2-diol (CID 158780453) is 2-hydroxyethyl acetate;propane-1,2-diol.
What is the SMILES notation for 2-hydroxyethyl acetate;propane-1,2-diol?
The canonical SMILES for 2-hydroxyethyl acetate;propane-1,2-diol is CC(=O)OCCO.CC(O)CO.
What is the InChIKey of 2-hydroxyethyl acetate;propane-1,2-diol?
The InChIKey is IQZWRXAQPLNISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H8O2/c1-4(6)7-3-2-5;1-3(5)2-4/h5H,2-3H2,1H3;3-5H,2H2,1H3.
What are the key properties of 2-hydroxyethyl acetate;propane-1,2-diol?
2-hydroxyethyl acetate;propane-1,2-diol has a molecular weight of 180.20 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl acetate;propane-1,2-diol is sourced from PubChem (CID 158780453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).