CID 11129167

C16H17NaO2+ — CID 11129167

IUPAC—
SMILESC1CCOC1.O=C([C]1[CH][CH][CH][CH]1)c1ccccc1.[Na+]
InChIInChI=1S/C12H9O.C4H8O.Na/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-4H2;/q;;+1
InChIKeyNJWAMGVJIKQRIA-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.08
Rot. Bonds2

About CID 11129167

CID 11129167 (PubChem CID 11129167) has the molecular formula C16H17NaO2+ and a molecular weight of 264.30 g/mol.

Molecular Properties

Compound NameCID 11129167
PubChem CID11129167
Molecular FormulaC16H17NaO2+
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name—
SMILESC1CCOC1.O=C([C]1[CH][CH][CH][CH]1)c1ccccc1.[Na+]
InChIInChI=1S/C12H9O.C4H8O.Na/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-4H2;/q;;+1
InChIKeyNJWAMGVJIKQRIA-UHFFFAOYSA-N
XLogP0.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 11129167?
The IUPAC name of CID 11129167 (CID 11129167) is not available.
What is the SMILES notation for CID 11129167?
The canonical SMILES for CID 11129167 is C1CCOC1.O=C([C]1[CH][CH][CH][CH]1)c1ccccc1.[Na+].
What is the InChIKey of CID 11129167?
The InChIKey is NJWAMGVJIKQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O.C4H8O.Na/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-4H2;/q;;+1.
What are the key properties of CID 11129167?
CID 11129167 has a molecular weight of 264.30 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11129167 is sourced from PubChem (CID 11129167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).