CID 131849704

C17H34KO2 — CID 131849704

IUPAC—
SMILESCCCCCCCCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/C17H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);
InChIKeyGVPLDNPZQYTFCT-UHFFFAOYSA-N
MW309.56 g/mol
LogP5.56
Rot. Bonds15

About CID 131849704

CID 131849704 (PubChem CID 131849704) has the molecular formula C17H34KO2 and a molecular weight of 309.56 g/mol.

Molecular Properties

Compound NameCID 131849704
PubChem CID131849704
Molecular FormulaC17H34KO2
Molecular Weight309.56 g/mol
Exact Mass309.22
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/C17H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);
InChIKeyGVPLDNPZQYTFCT-UHFFFAOYSA-N
XLogP5.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.56
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87059166
CID 87091593
CID 87091593
Potassium palmitate (U-13C16, 98%+)
CID 171042869
CID 158956860
CID 158956860
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
dodecanoic acid
CID 158187269
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988

Frequently Asked Questions

What is the IUPAC name of CID 131849704?
The IUPAC name of CID 131849704 (CID 131849704) is not available.
What is the SMILES notation for CID 131849704?
The canonical SMILES for CID 131849704 is CCCCCCCCCCCCCCCCC(=O)O.[K].
What is the InChIKey of CID 131849704?
The InChIKey is GVPLDNPZQYTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);.
What are the key properties of CID 131849704?
CID 131849704 has a molecular weight of 309.56 g/mol, XLogP of 5.56, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131849704 is sourced from PubChem (CID 131849704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).