3-deuteriooxyprop-1-ene

C3H6O — CID 71309525

IUPAC3-deuteriooxyprop-1-ene
SMILES[2H]OCC=C
InChIInChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2/i4D
InChIKeyXXROGKLTLUQVRX-QYKNYGDISA-N
MW59.09 g/mol
LogP0.16
Rot. Bonds2

About 3-deuteriooxyprop-1-ene

3-deuteriooxyprop-1-ene (PubChem CID 71309525) has the molecular formula C3H6O and a molecular weight of 59.09 g/mol. Its IUPAC name is 3-deuteriooxyprop-1-ene.

Molecular Properties

Compound Name3-deuteriooxyprop-1-ene
PubChem CID71309525
Molecular FormulaC3H6O
Molecular Weight59.09 g/mol
Exact Mass59.05
IUPAC Name3-deuteriooxyprop-1-ene
SMILES[2H]OCC=C
InChIInChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2/i4D
InChIKeyXXROGKLTLUQVRX-QYKNYGDISA-N
XLogP0.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.09
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(prop-2-en-1-ol);titanium
CID 177430302
prop-2-en-1-ol;stannane
CID 173011847
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
alumane;prop-2-en-1-ol
CID 173215342
palladium;prop-2-en-1-ol
CID 174738177
2,2-dideuteriobut-3-en-1-ol
CID 10606693
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
CID 161314513
dihydroxy(prop-2-enyl)silane
CID 154091316
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
3-bromoprop-1-ene;zinc
CID 87243076
1,3-dichloroprop-1-ene;prop-2-en-1-ol
CID 174971735
ethenol;oxotitanium;prop-2-en-1-ol
CID 88804275

Frequently Asked Questions

What is the IUPAC name of 3-deuteriooxyprop-1-ene?
The IUPAC name of 3-deuteriooxyprop-1-ene (CID 71309525) is 3-deuteriooxyprop-1-ene.
What is the SMILES notation for 3-deuteriooxyprop-1-ene?
The canonical SMILES for 3-deuteriooxyprop-1-ene is [2H]OCC=C.
What is the InChIKey of 3-deuteriooxyprop-1-ene?
The InChIKey is XXROGKLTLUQVRX-QYKNYGDISA-N. The full InChI is InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2/i4D.
What are the key properties of 3-deuteriooxyprop-1-ene?
3-deuteriooxyprop-1-ene has a molecular weight of 59.09 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuteriooxyprop-1-ene is sourced from PubChem (CID 71309525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).