CID 162335780

C10H14NaO4 — CID 162335780

IUPAC—
SMILESOCCOc1ccc(OCCO)cc1.[Na]
InChIInChI=1S/C10H14O4.Na/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;/h1-4,11-12H,5-8H2;
InChIKeyNTOWVJMLVPDIIV-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.05
Rot. Bonds6

About CID 162335780

CID 162335780 (PubChem CID 162335780) has the molecular formula C10H14NaO4 and a molecular weight of 221.21 g/mol.

Molecular Properties

Compound NameCID 162335780
PubChem CID162335780
Molecular FormulaC10H14NaO4
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name—
SMILESOCCOc1ccc(OCCO)cc1.[Na]
InChIInChI=1S/C10H14O4.Na/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;/h1-4,11-12H,5-8H2;
InChIKeyNTOWVJMLVPDIIV-UHFFFAOYSA-N
XLogP0.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 162335780?
The IUPAC name of CID 162335780 (CID 162335780) is not available.
What is the SMILES notation for CID 162335780?
The canonical SMILES for CID 162335780 is OCCOc1ccc(OCCO)cc1.[Na].
What is the InChIKey of CID 162335780?
The InChIKey is NTOWVJMLVPDIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.Na/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;/h1-4,11-12H,5-8H2;.
What are the key properties of CID 162335780?
CID 162335780 has a molecular weight of 221.21 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162335780 is sourced from PubChem (CID 162335780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).