CID 15657314

C4H7O — CID 15657314

IUPAC—
SMILES[CH2]COC=C
InChIInChI=1S/C4H7O/c1-3-5-4-2/h3H,1-2,4H2
InChIKeyHYAIRCIQEQWVDE-UHFFFAOYSA-N
MW71.10 g/mol
LogP0.98
Rot. Bonds2

About CID 15657314

CID 15657314 (PubChem CID 15657314) has the molecular formula C4H7O and a molecular weight of 71.10 g/mol.

Molecular Properties

Compound NameCID 15657314
PubChem CID15657314
Molecular FormulaC4H7O
Molecular Weight71.10 g/mol
Exact Mass71.05
IUPAC Name—
SMILES[CH2]COC=C
InChIInChI=1S/C4H7O/c1-3-5-4-2/h3H,1-2,4H2
InChIKeyHYAIRCIQEQWVDE-UHFFFAOYSA-N
XLogP0.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.10
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 15657314?
The IUPAC name of CID 15657314 (CID 15657314) is not available.
What is the SMILES notation for CID 15657314?
The canonical SMILES for CID 15657314 is [CH2]COC=C.
What is the InChIKey of CID 15657314?
The InChIKey is HYAIRCIQEQWVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O/c1-3-5-4-2/h3H,1-2,4H2.
What are the key properties of CID 15657314?
CID 15657314 has a molecular weight of 71.10 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15657314 is sourced from PubChem (CID 15657314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).