CID 175839968

C11H21KNO3 — CID 175839968

IUPAC—
SMILESCCCCCCCC(=O)OC(=O)CNC.[K]
InChIInChI=1S/C11H21NO3.K/c1-3-4-5-6-7-8-10(13)15-11(14)9-12-2;/h12H,3-9H2,1-2H3;
InChIKeyRXRRTMVFOTZVMU-UHFFFAOYSA-N
MW254.39 g/mol
LogP1.26
Rot. Bonds8

About CID 175839968

CID 175839968 (PubChem CID 175839968) has the molecular formula C11H21KNO3 and a molecular weight of 254.39 g/mol.

Molecular Properties

Compound NameCID 175839968
PubChem CID175839968
Molecular FormulaC11H21KNO3
Molecular Weight254.39 g/mol
Exact Mass254.12
IUPAC Name—
SMILESCCCCCCCC(=O)OC(=O)CNC.[K]
InChIInChI=1S/C11H21NO3.K/c1-3-4-5-6-7-8-10(13)15-11(14)9-12-2;/h12H,3-9H2,1-2H3;
InChIKeyRXRRTMVFOTZVMU-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-(methylamino)acetyl] octadecanoate
CID 57485427
azane;[2-(methylamino)acetyl] tetradecanoate
CID 87240252
CID 175920376
CID 175920376
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
diheptanoyl propanedioate
CID 57094190
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
[2-(ethylamino)acetyl] dodecanoate
CID 87803500

Frequently Asked Questions

What is the IUPAC name of CID 175839968?
The IUPAC name of CID 175839968 (CID 175839968) is not available.
What is the SMILES notation for CID 175839968?
The canonical SMILES for CID 175839968 is CCCCCCCC(=O)OC(=O)CNC.[K].
What is the InChIKey of CID 175839968?
The InChIKey is RXRRTMVFOTZVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.K/c1-3-4-5-6-7-8-10(13)15-11(14)9-12-2;/h12H,3-9H2,1-2H3;.
What are the key properties of CID 175839968?
CID 175839968 has a molecular weight of 254.39 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175839968 is sourced from PubChem (CID 175839968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).