CID 159528754

C13H26KO2 — CID 159528754

IUPAC—
SMILESCCCCCCCCCCCC(=O)OC.[K]
InChIInChI=1S/C13H26O2.K/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2;/h3-12H2,1-2H3;
InChIKeyMCSJUOBVFPPUDR-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.70
Rot. Bonds10

About CID 159528754

CID 159528754 (PubChem CID 159528754) has the molecular formula C13H26KO2 and a molecular weight of 253.45 g/mol.

Molecular Properties

Compound NameCID 159528754
PubChem CID159528754
Molecular FormulaC13H26KO2
Molecular Weight253.45 g/mol
Exact Mass253.16
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)OC.[K]
InChIInChI=1S/C13H26O2.K/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2;/h3-12H2,1-2H3;
InChIKeyMCSJUOBVFPPUDR-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.70
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

methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate;dihydrochloride
CID 140971064
methyl nonanoate;hydrochloride
CID 141151355
methanol;methyl decanoate
CID 174459243
potassium;hydride;methyl octadecanoate
CID 175153010
ethane;methyl hexanoate
CID 159004993
methyl 6-oxoicosanoate
CID 57100590
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885

Frequently Asked Questions

What is the IUPAC name of CID 159528754?
The IUPAC name of CID 159528754 (CID 159528754) is not available.
What is the SMILES notation for CID 159528754?
The canonical SMILES for CID 159528754 is CCCCCCCCCCCC(=O)OC.[K].
What is the InChIKey of CID 159528754?
The InChIKey is MCSJUOBVFPPUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.K/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2;/h3-12H2,1-2H3;.
What are the key properties of CID 159528754?
CID 159528754 has a molecular weight of 253.45 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159528754 is sourced from PubChem (CID 159528754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).