CID 58827011

C5H9O2 — CID 58827011

IUPAC—
SMILESO=CCCC[CH]O
InChIInChI=1S/C5H9O2/c6-4-2-1-3-5-7/h4-6H,1-3H2
InChIKeyORYTUEGIGVZPJS-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.89
Rot. Bonds4

About CID 58827011

CID 58827011 (PubChem CID 58827011) has the molecular formula C5H9O2 and a molecular weight of 101.12 g/mol.

Molecular Properties

Compound NameCID 58827011
PubChem CID58827011
Molecular FormulaC5H9O2
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name—
SMILESO=CCCC[CH]O
InChIInChI=1S/C5H9O2/c6-4-2-1-3-5-7/h4-6H,1-3H2
InChIKeyORYTUEGIGVZPJS-UHFFFAOYSA-N
XLogP0.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174727970

Frequently Asked Questions

What is the IUPAC name of CID 58827011?
The IUPAC name of CID 58827011 (CID 58827011) is not available.
What is the SMILES notation for CID 58827011?
The canonical SMILES for CID 58827011 is O=CCCC[CH]O.
What is the InChIKey of CID 58827011?
The InChIKey is ORYTUEGIGVZPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2/c6-4-2-1-3-5-7/h4-6H,1-3H2.
What are the key properties of CID 58827011?
CID 58827011 has a molecular weight of 101.12 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58827011 is sourced from PubChem (CID 58827011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).