CID 162323537

C12H24NaO2 — CID 162323537

IUPAC—
SMILESCCCCCCCCCCOC(C)=O.[Na]
InChIInChI=1S/C12H24O2.Na/c1-3-4-5-6-7-8-9-10-11-14-12(2)13;/h3-11H2,1-2H3;
InChIKeyRNQRLOANEQNATD-UHFFFAOYSA-N
MW223.31 g/mol
LogP3.31
Rot. Bonds9

About CID 162323537

CID 162323537 (PubChem CID 162323537) has the molecular formula C12H24NaO2 and a molecular weight of 223.31 g/mol.

Molecular Properties

Compound NameCID 162323537
PubChem CID162323537
Molecular FormulaC12H24NaO2
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name—
SMILESCCCCCCCCCCOC(C)=O.[Na]
InChIInChI=1S/C12H24O2.Na/c1-3-4-5-6-7-8-9-10-11-14-12(2)13;/h3-11H2,1-2H3;
InChIKeyRNQRLOANEQNATD-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

alumane;hexyl acetate
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azane;tetradecyl acetate
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magnesium;hydride;nonyl acetate
CID 174803218
ethanol;hexadecyl acetate
CID 87919670
calcium;hydride;octadecyl acetate
CID 174802798
ethene;nonyl acetate
CID 170451195
acetic acid;octyl acetate
CID 87556300
decyl acetate;ethyl acetate
CID 158679657
magnesium;hydride;pentyl acetate
CID 174803356
dodecan-1-ol;pentyl acetate
CID 174729333
3-octoxypropyl acetate
CID 21272964
octane;propyl acetate
CID 174786724

Frequently Asked Questions

What is the IUPAC name of CID 162323537?
The IUPAC name of CID 162323537 (CID 162323537) is not available.
What is the SMILES notation for CID 162323537?
The canonical SMILES for CID 162323537 is CCCCCCCCCCOC(C)=O.[Na].
What is the InChIKey of CID 162323537?
The InChIKey is RNQRLOANEQNATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.Na/c1-3-4-5-6-7-8-9-10-11-14-12(2)13;/h3-11H2,1-2H3;.
What are the key properties of CID 162323537?
CID 162323537 has a molecular weight of 223.31 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162323537 is sourced from PubChem (CID 162323537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).