CID 172843337

C5H10LiO3 — CID 172843337

IUPAC—
SMILESCCOC(=O)COC.[Li]
InChIInChI=1S/C5H10O3.Li/c1-3-8-5(6)4-7-2;/h3-4H2,1-2H3;
InChIKeyXBZOJQSKAPNQNQ-UHFFFAOYSA-N
MW125.07 g/mol
LogP-0.18
Rot. Bonds3

About CID 172843337

CID 172843337 (PubChem CID 172843337) has the molecular formula C5H10LiO3 and a molecular weight of 125.07 g/mol.

Molecular Properties

Compound NameCID 172843337
PubChem CID172843337
Molecular FormulaC5H10LiO3
Molecular Weight125.07 g/mol
Exact Mass125.08
IUPAC Name—
SMILESCCOC(=O)COC.[Li]
InChIInChI=1S/C5H10O3.Li/c1-3-8-5(6)4-7-2;/h3-4H2,1-2H3;
InChIKeyXBZOJQSKAPNQNQ-UHFFFAOYSA-N
XLogP-0.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.07
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
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ethyl 2-(methylaminooxy)acetate
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diethyl 3-(2-methoxyacetyl)pentanedioate
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diethyl propanedioate;titanium
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diethyl propanedioate;ethane
CID 123991095
4-O-ethyl 1-O-methyl butanedioate
CID 522068
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
potassium;diethyl propanedioate;sulfanide
CID 159289328

Frequently Asked Questions

What is the IUPAC name of CID 172843337?
The IUPAC name of CID 172843337 (CID 172843337) is not available.
What is the SMILES notation for CID 172843337?
The canonical SMILES for CID 172843337 is CCOC(=O)COC.[Li].
What is the InChIKey of CID 172843337?
The InChIKey is XBZOJQSKAPNQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.Li/c1-3-8-5(6)4-7-2;/h3-4H2,1-2H3;.
What are the key properties of CID 172843337?
CID 172843337 has a molecular weight of 125.07 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172843337 is sourced from PubChem (CID 172843337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).