1-ethoxyprop-1-yne

C5H8O — CID 640369

IUPAC1-ethoxyprop-1-yne
SMILESCC#COCC
InChIInChI=1S/C5H8O/c1-3-5-6-4-2/h4H2,1-2H3
InChIKeyAEENFMCEQQAULS-UHFFFAOYSA-N
MW84.12 g/mol
LogP1.00
Rot. Bonds1

About 1-ethoxyprop-1-yne

1-ethoxyprop-1-yne (PubChem CID 640369) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 1-ethoxyprop-1-yne.

Molecular Properties

Compound Name1-ethoxyprop-1-yne
PubChem CID640369
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name1-ethoxyprop-1-yne
SMILESCC#COCC
InChIInChI=1S/C5H8O/c1-3-5-6-4-2/h4H2,1-2H3
InChIKeyAEENFMCEQQAULS-UHFFFAOYSA-N
XLogP1.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl propyl ether
CID 11182
3-Methoxypropyne
CID 69393
3-Ethoxyprop-1-yne
CID 6427121
4-Methoxybut-1-yne
CID 542152
1,4-Dimethoxy-2-butyne
CID 542354
4-Ethoxybut-1-yne
CID 12225167
3-Propoxyprop-1-yne
CID 104416
1-Ethoxypent-2-yne
CID 15266968
5-Methoxypent-1-yne
CID 14221107
1-Propyne, 1-methoxy-
CID 139404
1-Methoxy-2-butyne
CID 549876
Propoxy-ethyne
CID 14269844

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyprop-1-yne?
The IUPAC name of 1-ethoxyprop-1-yne (CID 640369) is 1-ethoxyprop-1-yne.
What is the SMILES notation for 1-ethoxyprop-1-yne?
The canonical SMILES for 1-ethoxyprop-1-yne is CC#COCC.
What is the InChIKey of 1-ethoxyprop-1-yne?
The InChIKey is AEENFMCEQQAULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-3-5-6-4-2/h4H2,1-2H3.
What are the key properties of 1-ethoxyprop-1-yne?
1-ethoxyprop-1-yne has a molecular weight of 84.12 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyprop-1-yne is sourced from PubChem (CID 640369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).