CID 59037764

C5H9O2 — CID 59037764

IUPAC—
SMILESCCC=C([O])OC
InChIInChI=1S/C5H9O2/c1-3-4-5(6)7-2/h4H,3H2,1-2H3
InChIKeyQRKJYKHEVUKXGK-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.31
Rot. Bonds2

About CID 59037764

CID 59037764 (PubChem CID 59037764) has the molecular formula C5H9O2 and a molecular weight of 101.12 g/mol.

Molecular Properties

Compound NameCID 59037764
PubChem CID59037764
Molecular FormulaC5H9O2
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name—
SMILESCCC=C([O])OC
InChIInChI=1S/C5H9O2/c1-3-4-5(6)7-2/h4H,3H2,1-2H3
InChIKeyQRKJYKHEVUKXGK-UHFFFAOYSA-N
XLogP1.31
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 59037764 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Propene, 1,1-dimethoxy-
CID 11768513
1,1-Dimethoxybut-1-ene
CID 13452371
CID 59601808
CID 59601808
(E)-1-ethoxyprop-1-en-1-olate
CID 134611716
sodium (E)-1-ethoxybut-1-en-1-olate
CID 135050168
(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
1,1-Bis(ethenoxy)but-1-ene
CID 23196167
lithium (Z)-1-ethoxybut-1-en-1-olate
CID 23677906
1-(1-Hydroxybut-1-enoxy)but-1-en-1-ol
CID 72528745

Frequently Asked Questions

What is the IUPAC name of CID 59037764?
The IUPAC name of CID 59037764 (CID 59037764) is not available.
What is the SMILES notation for CID 59037764?
The canonical SMILES for CID 59037764 is CCC=C([O])OC.
What is the InChIKey of CID 59037764?
The InChIKey is QRKJYKHEVUKXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2/c1-3-4-5(6)7-2/h4H,3H2,1-2H3.
What are the key properties of CID 59037764?
CID 59037764 has a molecular weight of 101.12 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59037764 is sourced from PubChem (CID 59037764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).