CID 5486000

C5H11O — CID 5486000

IUPAC—
SMILESCCCCC[O]
InChIInChI=1S/C5H11O/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeyZJEIQAVSKHHECZ-UHFFFAOYSA-N
MW87.14 g/mol
LogP1.61
Rot. Bonds3

About CID 5486000

CID 5486000 (PubChem CID 5486000) has the molecular formula C5H11O and a molecular weight of 87.14 g/mol.

Molecular Properties

Compound NameCID 5486000
PubChem CID5486000
Molecular FormulaC5H11O
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name—
SMILESCCCCC[O]
InChIInChI=1S/C5H11O/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeyZJEIQAVSKHHECZ-UHFFFAOYSA-N
XLogP1.61
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5486000?
The IUPAC name of CID 5486000 (CID 5486000) is not available.
What is the SMILES notation for CID 5486000?
The canonical SMILES for CID 5486000 is CCCCC[O].
What is the InChIKey of CID 5486000?
The InChIKey is ZJEIQAVSKHHECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-2-3-4-5-6/h2-5H2,1H3.
What are the key properties of CID 5486000?
CID 5486000 has a molecular weight of 87.14 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5486000 is sourced from PubChem (CID 5486000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).