1-ethoxypent-1-yne

C7H12O — CID 14380469

IUPAC1-ethoxypent-1-yne
SMILESCCCC#COCC
InChIInChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3-5H2,1-2H3
InChIKeyBQASKAFFTDKJNN-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.78
Rot. Bonds2

About 1-ethoxypent-1-yne

1-ethoxypent-1-yne (PubChem CID 14380469) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 1-ethoxypent-1-yne.

Molecular Properties

Compound Name1-ethoxypent-1-yne
PubChem CID14380469
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name1-ethoxypent-1-yne
SMILESCCCC#COCC
InChIInChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3-5H2,1-2H3
InChIKeyBQASKAFFTDKJNN-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.78
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

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
3-Methoxybut-1-yne
CID 325947
1-Methoxy-2-butyne
CID 549876
1-Ethoxyprop-1-yne
CID 640369
4-Methoxy-3-methylbut-1-yne
CID 20644245
4-Methoxy-3,3-dimethylbut-1-yne
CID 20684416

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypent-1-yne?
The IUPAC name of 1-ethoxypent-1-yne (CID 14380469) is 1-ethoxypent-1-yne.
What is the SMILES notation for 1-ethoxypent-1-yne?
The canonical SMILES for 1-ethoxypent-1-yne is CCCC#COCC.
What is the InChIKey of 1-ethoxypent-1-yne?
The InChIKey is BQASKAFFTDKJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3-5H2,1-2H3.
What are the key properties of 1-ethoxypent-1-yne?
1-ethoxypent-1-yne has a molecular weight of 112.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypent-1-yne is sourced from PubChem (CID 14380469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).