ethanol;propa-1,2-diene

C5H10O — CID 174394584

IUPACethanol;propa-1,2-diene
SMILESC=C=C.CCO
InChIInChI=1S/C3H4.C2H6O/c1-3-2;1-2-3/h1-2H2;3H,2H2,1H3
InChIKeyGZISZBQJPLDCIM-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.96
Rot. Bonds

About ethanol;propa-1,2-diene

ethanol;propa-1,2-diene (PubChem CID 174394584) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is ethanol;propa-1,2-diene.

Molecular Properties

Compound Nameethanol;propa-1,2-diene
PubChem CID174394584
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Nameethanol;propa-1,2-diene
SMILESC=C=C.CCO
InChIInChI=1S/C3H4.C2H6O/c1-3-2;1-2-3/h1-2H2;3H,2H2,1H3
InChIKeyGZISZBQJPLDCIM-UHFFFAOYSA-N
XLogP0.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanol;propa-1,2-diene?
The IUPAC name of ethanol;propa-1,2-diene (CID 174394584) is ethanol;propa-1,2-diene.
What is the SMILES notation for ethanol;propa-1,2-diene?
The canonical SMILES for ethanol;propa-1,2-diene is C=C=C.CCO.
What is the InChIKey of ethanol;propa-1,2-diene?
The InChIKey is GZISZBQJPLDCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.C2H6O/c1-3-2;1-2-3/h1-2H2;3H,2H2,1H3.
What are the key properties of ethanol;propa-1,2-diene?
ethanol;propa-1,2-diene has a molecular weight of 86.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propa-1,2-diene is sourced from PubChem (CID 174394584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).