CID 162333795

C18H36NaO3 — CID 162333795

IUPAC—
SMILESO=C(O)CCCCCCCCCCCCCCCCCO.[Na]
InChIInChI=1S/C18H36O3.Na/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21;/h19H,1-17H2,(H,20,21);
InChIKeyFSRCBCYPJWQUMY-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.92
Rot. Bonds17

About CID 162333795

CID 162333795 (PubChem CID 162333795) has the molecular formula C18H36NaO3 and a molecular weight of 323.47 g/mol.

Molecular Properties

Compound NameCID 162333795
PubChem CID162333795
Molecular FormulaC18H36NaO3
Molecular Weight323.47 g/mol
Exact Mass323.26
IUPAC Name—
SMILESO=C(O)CCCCCCCCCCCCCCCCCO.[Na]
InChIInChI=1S/C18H36O3.Na/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21;/h19H,1-17H2,(H,20,21);
InChIKeyFSRCBCYPJWQUMY-UHFFFAOYSA-N
XLogP4.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
5-hydroxypentanoic acid
CID 25945
ethane;6-hydroxyhexanoic acid
CID 87459132
15-hydroxy-6-oxopentadecanoic acid
CID 154126593
lithium;hydride;5-hydroxypentanoic acid
CID 173343870

Frequently Asked Questions

What is the IUPAC name of CID 162333795?
The IUPAC name of CID 162333795 (CID 162333795) is not available.
What is the SMILES notation for CID 162333795?
The canonical SMILES for CID 162333795 is O=C(O)CCCCCCCCCCCCCCCCCO.[Na].
What is the InChIKey of CID 162333795?
The InChIKey is FSRCBCYPJWQUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.Na/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21;/h19H,1-17H2,(H,20,21);.
What are the key properties of CID 162333795?
CID 162333795 has a molecular weight of 323.47 g/mol, XLogP of 4.92, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162333795 is sourced from PubChem (CID 162333795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).