CID 161458448

C16H30KO2 — CID 161458448

IUPAC—
SMILESCCCCCCC=CCCCCCCCC(=O)O.[K]
InChIInChI=1S/C16H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);
InChIKeyWBLZKLSSXWLLLM-UHFFFAOYSA-N
MW293.51 g/mol
LogP4.95
Rot. Bonds13

About CID 161458448

CID 161458448 (PubChem CID 161458448) has the molecular formula C16H30KO2 and a molecular weight of 293.51 g/mol.

Molecular Properties

Compound NameCID 161458448
PubChem CID161458448
Molecular FormulaC16H30KO2
Molecular Weight293.51 g/mol
Exact Mass293.19
IUPAC Name—
SMILESCCCCCCC=CCCCCCCCC(=O)O.[K]
InChIInChI=1S/C16H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);
InChIKeyWBLZKLSSXWLLLM-UHFFFAOYSA-N
XLogP4.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of CID 161458448?
The IUPAC name of CID 161458448 (CID 161458448) is not available.
What is the SMILES notation for CID 161458448?
The canonical SMILES for CID 161458448 is CCCCCCC=CCCCCCCCC(=O)O.[K].
What is the InChIKey of CID 161458448?
The InChIKey is WBLZKLSSXWLLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);.
What are the key properties of CID 161458448?
CID 161458448 has a molecular weight of 293.51 g/mol, XLogP of 4.95, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161458448 is sourced from PubChem (CID 161458448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).