CID 87091593

C10H20KO2 — CID 87091593

IUPAC—
SMILESCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/C10H20O2.K/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);
InChIKeySKHOVAPWIYEIAZ-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.83
Rot. Bonds8

About CID 87091593

CID 87091593 (PubChem CID 87091593) has the molecular formula C10H20KO2 and a molecular weight of 211.37 g/mol.

Molecular Properties

Compound NameCID 87091593
PubChem CID87091593
Molecular FormulaC10H20KO2
Molecular Weight211.37 g/mol
Exact Mass211.11
IUPAC Name—
SMILESCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/C10H20O2.K/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);
InChIKeySKHOVAPWIYEIAZ-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.83
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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octane;octanoic acid
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henicosane;tricosanoic acid
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decanoic acid;tetradecanoic acid
CID 87611521
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 87091593?
The IUPAC name of CID 87091593 (CID 87091593) is not available.
What is the SMILES notation for CID 87091593?
The canonical SMILES for CID 87091593 is CCCCCCCCCC(=O)O.[K].
What is the InChIKey of CID 87091593?
The InChIKey is SKHOVAPWIYEIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.K/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);.
What are the key properties of CID 87091593?
CID 87091593 has a molecular weight of 211.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87091593 is sourced from PubChem (CID 87091593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).