1-ethoxy-3-methylpent-1-yne

C8H14O — CID 23268684

IUPAC1-ethoxy-3-methylpent-1-yne
SMILESCCOC#CC(C)CC
InChIInChI=1S/C8H14O/c1-4-8(3)6-7-9-5-2/h8H,4-5H2,1-3H3
InChIKeyHWGZZBDQYQKTGP-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.03
Rot. Bonds2

About 1-ethoxy-3-methylpent-1-yne

1-ethoxy-3-methylpent-1-yne (PubChem CID 23268684) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-ethoxy-3-methylpent-1-yne.

Molecular Properties

Compound Name1-ethoxy-3-methylpent-1-yne
PubChem CID23268684
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-ethoxy-3-methylpent-1-yne
SMILESCCOC#CC(C)CC
InChIInChI=1S/C8H14O/c1-4-8(3)6-7-9-5-2/h8H,4-5H2,1-3H3
InChIKeyHWGZZBDQYQKTGP-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.03
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

4-Methoxy-3-methylbut-1-yne
CID 20644245
9-(3-Methylbutoxy)nona-3,5-diyne
CID 163024471
(1S,2S)-1-(3-methoxyprop-1-yn-1-yl)-2-methylcyclopropane
CID 642999
1-Butyne, 1-ethoxy-3-methyl-
CID 11029794
1-Butyne, 1-methoxy-3-methyl-
CID 11051585
1-Methoxy-4-methylpent-1-yne
CID 12564138
3-Methyl-1-propan-2-yloxybut-1-yne
CID 134922636
1-Ethoxy-3,3-dimethylbut-1-yne
CID 134922881
1-Methoxy-2,4-heptadiyne
CID 129788607
1-Butoxy-3-methylbut-1-yne
CID 134873875
3,3-Dimethyl-1-(2-methylpropoxy)but-1-yne
CID 135067054
1-(3-Methoxyprop-1-ynyl)-2-methylcyclopropane
CID 10887899

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylpent-1-yne?
The IUPAC name of 1-ethoxy-3-methylpent-1-yne (CID 23268684) is 1-ethoxy-3-methylpent-1-yne.
What is the SMILES notation for 1-ethoxy-3-methylpent-1-yne?
The canonical SMILES for 1-ethoxy-3-methylpent-1-yne is CCOC#CC(C)CC.
What is the InChIKey of 1-ethoxy-3-methylpent-1-yne?
The InChIKey is HWGZZBDQYQKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8(3)6-7-9-5-2/h8H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-3-methylpent-1-yne?
1-ethoxy-3-methylpent-1-yne has a molecular weight of 126.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylpent-1-yne is sourced from PubChem (CID 23268684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).