CID 59601808

C4H7O2 — CID 59601808

IUPAC—
SMILESCC=C([O])OC
InChIInChI=1S/C4H7O2/c1-3-4(5)6-2/h3H,1-2H3
InChIKeyDUEVIJNWLJUFDM-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.92
Rot. Bonds1

About CID 59601808

CID 59601808 (PubChem CID 59601808) has the molecular formula C4H7O2 and a molecular weight of 87.10 g/mol.

Molecular Properties

Compound NameCID 59601808
PubChem CID59601808
Molecular FormulaC4H7O2
Molecular Weight87.10 g/mol
Exact Mass87.04
IUPAC Name—
SMILESCC=C([O])OC
InChIInChI=1S/C4H7O2/c1-3-4(5)6-2/h3H,1-2H3
InChIKeyDUEVIJNWLJUFDM-UHFFFAOYSA-N
XLogP0.92
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.92
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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Related Compounds

1-Propene, 1,1-dimethoxy-
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lithium (Z)-1-methoxyprop-1-en-1-olate
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(E)-1-ethoxyprop-1-en-1-olate
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sodium (E)-1-methoxyprop-1-en-1-olate
CID 134907816
sodium (Z)-1-methoxyprop-1-en-1-olate
CID 134975586
(E)-1-methoxyprop-1-en-1-ol
CID 6096978
(Z)-1-methoxyprop-1-en-1-ol
CID 11815821
(Z)-1-methoxyprop-1-en-1-olate
CID 21343834
1-Methoxyprop-1-en-1-ol
CID 22524651
CID 59037764
CID 59037764
1-Methoxyprop-1-en-1-olate
CID 73782179
(E)-1-ethylperoxy-1-methoxyprop-1-ene
CID 117842418

Frequently Asked Questions

What is the IUPAC name of CID 59601808?
The IUPAC name of CID 59601808 (CID 59601808) is not available.
What is the SMILES notation for CID 59601808?
The canonical SMILES for CID 59601808 is CC=C([O])OC.
What is the InChIKey of CID 59601808?
The InChIKey is DUEVIJNWLJUFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2/c1-3-4(5)6-2/h3H,1-2H3.
What are the key properties of CID 59601808?
CID 59601808 has a molecular weight of 87.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59601808 is sourced from PubChem (CID 59601808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).