ethene;formaldehyde

C9H18O3 — CID 161379593

IUPACethene;formaldehyde
SMILESC=C.C=C.C=C.C=O.C=O.C=O
InChIInChI=1S/3C2H4.3CH2O/c6*1-2/h3*1-2H2;3*1H2
InChIKeyVRNVZUVOXWETDZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.85
Rot. Bonds

About ethene;formaldehyde

ethene;formaldehyde (PubChem CID 161379593) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethene;formaldehyde.

Molecular Properties

Compound Nameethene;formaldehyde
PubChem CID161379593
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameethene;formaldehyde
SMILESC=C.C=C.C=C.C=O.C=O.C=O
InChIInChI=1S/3C2H4.3CH2O/c6*1-2/h3*1-2H2;3*1H2
InChIKeyVRNVZUVOXWETDZ-UHFFFAOYSA-N
XLogP1.85
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;formaldehyde?
The IUPAC name of ethene;formaldehyde (CID 161379593) is ethene;formaldehyde.
What is the SMILES notation for ethene;formaldehyde?
The canonical SMILES for ethene;formaldehyde is C=C.C=C.C=C.C=O.C=O.C=O.
What is the InChIKey of ethene;formaldehyde?
The InChIKey is VRNVZUVOXWETDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4.3CH2O/c6*1-2/h3*1-2H2;3*1H2.
What are the key properties of ethene;formaldehyde?
ethene;formaldehyde has a molecular weight of 174.24 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;formaldehyde is sourced from PubChem (CID 161379593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).