CID 158891282

C12H26NaO2 — CID 158891282

IUPAC—
SMILESCCCCCCCCCCC(O)CO.[Na]
InChIInChI=1S/C12H26O2.Na/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;/h12-14H,2-11H2,1H3;
InChIKeyJEGPVTGUOOUCFK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.49
Rot. Bonds10

About CID 158891282

CID 158891282 (PubChem CID 158891282) has the molecular formula C12H26NaO2 and a molecular weight of 225.33 g/mol.

Molecular Properties

Compound NameCID 158891282
PubChem CID158891282
Molecular FormulaC12H26NaO2
Molecular Weight225.33 g/mol
Exact Mass225.18
IUPAC Name—
SMILESCCCCCCCCCCC(O)CO.[Na]
InChIInChI=1S/C12H26O2.Na/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;/h12-14H,2-11H2,1H3;
InChIKeyJEGPVTGUOOUCFK-UHFFFAOYSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.49
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

(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
octane-1,2-diol
CID 159791136
tricosane-1,2-diol
CID 42607324
decane-1,10-diol;nonane-1,2-diol
CID 174889231
carbonic acid;octane-1,2-diol
CID 87196944
acetic acid;octane-1,2-diol
CID 71443933
hexane-1,1-diol;hexane-1,2-diol
CID 158152715
octadec-9-ene-1,2-diol
CID 139720566
ethanol;nonacosan-10-ol
CID 87536381

Frequently Asked Questions

What is the IUPAC name of CID 158891282?
The IUPAC name of CID 158891282 (CID 158891282) is not available.
What is the SMILES notation for CID 158891282?
The canonical SMILES for CID 158891282 is CCCCCCCCCCC(O)CO.[Na].
What is the InChIKey of CID 158891282?
The InChIKey is JEGPVTGUOOUCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2.Na/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;/h12-14H,2-11H2,1H3;.
What are the key properties of CID 158891282?
CID 158891282 has a molecular weight of 225.33 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158891282 is sourced from PubChem (CID 158891282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).