3-(113C)ethoxyprop-1-ene

C5H10O — CID 10103120

IUPAC3-(113C)ethoxyprop-1-ene
SMILESC=CCO[13CH2]C
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3/i4+1
InChIKeyOJPSFJLSZZTSDF-AZXPZELESA-N
MW87.13 g/mol
LogP1.21
Rot. Bonds3

About 3-(113C)ethoxyprop-1-ene

3-(113C)ethoxyprop-1-ene (PubChem CID 10103120) has the molecular formula C5H10O and a molecular weight of 87.13 g/mol. Its IUPAC name is 3-(113C)ethoxyprop-1-ene.

Molecular Properties

Compound Name3-(113C)ethoxyprop-1-ene
PubChem CID10103120
Molecular FormulaC5H10O
Molecular Weight87.13 g/mol
Exact Mass87.08
IUPAC Name3-(113C)ethoxyprop-1-ene
SMILESC=CCO[13CH2]C
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3/i4+1
InChIKeyOJPSFJLSZZTSDF-AZXPZELESA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.13
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(113C)ethoxyprop-1-ene?
The IUPAC name of 3-(113C)ethoxyprop-1-ene (CID 10103120) is 3-(113C)ethoxyprop-1-ene.
What is the SMILES notation for 3-(113C)ethoxyprop-1-ene?
The canonical SMILES for 3-(113C)ethoxyprop-1-ene is C=CCO[13CH2]C.
What is the InChIKey of 3-(113C)ethoxyprop-1-ene?
The InChIKey is OJPSFJLSZZTSDF-AZXPZELESA-N. The full InChI is InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3/i4+1.
What are the key properties of 3-(113C)ethoxyprop-1-ene?
3-(113C)ethoxyprop-1-ene has a molecular weight of 87.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(113C)ethoxyprop-1-ene is sourced from PubChem (CID 10103120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).