CID 172688243

C10H10LiO4 — CID 172688243

IUPAC—
SMILESCOC(=O)COC(=O)c1ccccc1.[Li]
InChIInChI=1S/C10H10O4.Li/c1-13-9(11)7-14-10(12)8-5-3-2-4-6-8;/h2-6H,7H2,1H3;
InChIKeyBIBQXNDDSSCLQV-UHFFFAOYSA-N
MW201.13 g/mol
LogP0.64
Rot. Bonds3

About CID 172688243

CID 172688243 (PubChem CID 172688243) has the molecular formula C10H10LiO4 and a molecular weight of 201.13 g/mol.

Molecular Properties

Compound NameCID 172688243
PubChem CID172688243
Molecular FormulaC10H10LiO4
Molecular Weight201.13 g/mol
Exact Mass201.07
IUPAC Name—
SMILESCOC(=O)COC(=O)c1ccccc1.[Li]
InChIInChI=1S/C10H10O4.Li/c1-13-9(11)7-14-10(12)8-5-3-2-4-6-8;/h2-6H,7H2,1H3;
InChIKeyBIBQXNDDSSCLQV-UHFFFAOYSA-N
XLogP0.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate
CID 24772586
8-O-(2-methoxy-2-oxoethyl) 1-O-methyl octanedioate;2-methylbutyl benzoate
CID 91299758
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
azane;2-methoxyethyl benzoate
CID 174560204
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
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CID 158970570
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Frequently Asked Questions

What is the IUPAC name of CID 172688243?
The IUPAC name of CID 172688243 (CID 172688243) is not available.
What is the SMILES notation for CID 172688243?
The canonical SMILES for CID 172688243 is COC(=O)COC(=O)c1ccccc1.[Li].
What is the InChIKey of CID 172688243?
The InChIKey is BIBQXNDDSSCLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.Li/c1-13-9(11)7-14-10(12)8-5-3-2-4-6-8;/h2-6H,7H2,1H3;.
What are the key properties of CID 172688243?
CID 172688243 has a molecular weight of 201.13 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172688243 is sourced from PubChem (CID 172688243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).