CID 158595082

C16H26NaO — CID 158595082

IUPAC—
SMILESCCCCCCCCCCc1ccccc1O.[Na]
InChIInChI=1S/C16H26O.Na/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17;/h10-11,13-14,17H,2-9,12H2,1H3;
InChIKeyHUXVSNURZABAEA-UHFFFAOYSA-N
MW257.37 g/mol
LogP4.69
Rot. Bonds9

About CID 158595082

CID 158595082 (PubChem CID 158595082) has the molecular formula C16H26NaO and a molecular weight of 257.37 g/mol.

Molecular Properties

Compound NameCID 158595082
PubChem CID158595082
Molecular FormulaC16H26NaO
Molecular Weight257.37 g/mol
Exact Mass257.19
IUPAC Name—
SMILESCCCCCCCCCCc1ccccc1O.[Na]
InChIInChI=1S/C16H26O.Na/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17;/h10-11,13-14,17H,2-9,12H2,1H3;
InChIKeyHUXVSNURZABAEA-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 158595082 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dodecylphenol
CID 160834917
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-nonylphenol;pentan-1-ol
CID 70367302

Frequently Asked Questions

What is the IUPAC name of CID 158595082?
The IUPAC name of CID 158595082 (CID 158595082) is not available.
What is the SMILES notation for CID 158595082?
The canonical SMILES for CID 158595082 is CCCCCCCCCCc1ccccc1O.[Na].
What is the InChIKey of CID 158595082?
The InChIKey is HUXVSNURZABAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.Na/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17;/h10-11,13-14,17H,2-9,12H2,1H3;.
What are the key properties of CID 158595082?
CID 158595082 has a molecular weight of 257.37 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158595082 is sourced from PubChem (CID 158595082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).