sodium;ethyl 2-methylbenzoate;hydride

C10H13NaO2 — CID 174396999

IUPACsodium;ethyl 2-methylbenzoate;hydride
SMILESCCOC(=O)c1ccccc1C.[H-].[Na+]
InChIInChI=1S/C10H12O2.Na.H/c1-3-12-10(11)9-7-5-4-6-8(9)2;;/h4-7H,3H2,1-2H3;;/q;+1;-1
InChIKeyBVOBQPOICYBOQN-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.71
Rot. Bonds2

About sodium;ethyl 2-methylbenzoate;hydride

sodium;ethyl 2-methylbenzoate;hydride (PubChem CID 174396999) has the molecular formula C10H13NaO2 and a molecular weight of 188.20 g/mol. Its IUPAC name is sodium;ethyl 2-methylbenzoate;hydride.

Molecular Properties

Compound Namesodium;ethyl 2-methylbenzoate;hydride
PubChem CID174396999
Molecular FormulaC10H13NaO2
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Namesodium;ethyl 2-methylbenzoate;hydride
SMILESCCOC(=O)c1ccccc1C.[H-].[Na+]
InChIInChI=1S/C10H12O2.Na.H/c1-3-12-10(11)9-7-5-4-6-8(9)2;;/h4-7H,3H2,1-2H3;;/q;+1;-1
InChIKeyBVOBQPOICYBOQN-UHFFFAOYSA-N
XLogP-0.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylbenzoic acid;ethyl 2-methylbenzoate
CID 175978347
propyl 2-methylbenzoate
CID 23432654
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethyl 2-(2-aminoacetyl)benzoate
CID 18694028
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
CID 89246806
CID 89246806
tridecyl 2-methylbenzoate
CID 530568
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 2-methylbenzoate;hydride?
The IUPAC name of sodium;ethyl 2-methylbenzoate;hydride (CID 174396999) is sodium;ethyl 2-methylbenzoate;hydride.
What is the SMILES notation for sodium;ethyl 2-methylbenzoate;hydride?
The canonical SMILES for sodium;ethyl 2-methylbenzoate;hydride is CCOC(=O)c1ccccc1C.[H-].[Na+].
What is the InChIKey of sodium;ethyl 2-methylbenzoate;hydride?
The InChIKey is BVOBQPOICYBOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.Na.H/c1-3-12-10(11)9-7-5-4-6-8(9)2;;/h4-7H,3H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;ethyl 2-methylbenzoate;hydride?
sodium;ethyl 2-methylbenzoate;hydride has a molecular weight of 188.20 g/mol, XLogP of -0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl 2-methylbenzoate;hydride is sourced from PubChem (CID 174396999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).