CID 11389678

C9H11NaO2+ — CID 11389678

IUPAC—
SMILESCCOC(=O)[C]1[CH][CH]C[CH][CH]1.[Na+]
InChIInChI=1S/C9H11O2.Na/c1-2-11-9(10)8-6-4-3-5-7-8;/h4-7H,2-3H2,1H3;/q;+1
InChIKeyCTYRAFKUBOVAGK-UHFFFAOYSA-N
MW174.17 g/mol
LogP-1.65
Rot. Bonds2

About CID 11389678

CID 11389678 (PubChem CID 11389678) has the molecular formula C9H11NaO2+ and a molecular weight of 174.17 g/mol.

Molecular Properties

Compound NameCID 11389678
PubChem CID11389678
Molecular FormulaC9H11NaO2+
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name—
SMILESCCOC(=O)[C]1[CH][CH]C[CH][CH]1.[Na+]
InChIInChI=1S/C9H11O2.Na/c1-2-11-9(10)8-6-4-3-5-7-8;/h4-7H,2-3H2,1H3;/q;+1
InChIKeyCTYRAFKUBOVAGK-UHFFFAOYSA-N
XLogP-1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 11389679
CID 11389679
diethyl 4H-selenopyran-2,6-dicarboxylate
CID 10661071
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
diethyl benzene-1,3-dicarboxylate
CID 12491
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 9-amino-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-10-carboxylate
CID 138478950
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561
ethyl 2,3,5-trihydroxybenzoate
CID 139843169
ethyl 2-methyl-3H-pyrrole-4-carboxylate
CID 159437732
ethyl 2,4,6-triethylbenzoate
CID 12702183

Frequently Asked Questions

What is the IUPAC name of CID 11389678?
The IUPAC name of CID 11389678 (CID 11389678) is not available.
What is the SMILES notation for CID 11389678?
The canonical SMILES for CID 11389678 is CCOC(=O)[C]1[CH][CH]C[CH][CH]1.[Na+].
What is the InChIKey of CID 11389678?
The InChIKey is CTYRAFKUBOVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.Na/c1-2-11-9(10)8-6-4-3-5-7-8;/h4-7H,2-3H2,1H3;/q;+1.
What are the key properties of CID 11389678?
CID 11389678 has a molecular weight of 174.17 g/mol, XLogP of -1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11389678 is sourced from PubChem (CID 11389678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).