4-ethoxy-3-methylpent-1-yne

C8H14O — CID 18551921

IUPAC4-ethoxy-3-methylpent-1-yne
SMILESC#CC(C)C(C)OCC
InChIInChI=1S/C8H14O/c1-5-7(3)8(4)9-6-2/h1,7-8H,6H2,2-4H3
InChIKeyWEGJUENFLSGRJK-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds3

About 4-ethoxy-3-methylpent-1-yne

4-ethoxy-3-methylpent-1-yne (PubChem CID 18551921) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-ethoxy-3-methylpent-1-yne.

Molecular Properties

Compound Name4-ethoxy-3-methylpent-1-yne
PubChem CID18551921
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-ethoxy-3-methylpent-1-yne
SMILESC#CC(C)C(C)OCC
InChIInChI=1S/C8H14O/c1-5-7(3)8(4)9-6-2/h1,7-8H,6H2,2-4H3
InChIKeyWEGJUENFLSGRJK-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
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

tert-Butyl 1-methyl-2-propynyl ether
CID 4418415
5-(1-Methylethoxy)-1-pentyne
CID 58120572
3-Methyl-1-prop-2-ynoxybutane
CID 87948706
1-Butyne, 4-(1,1-dimethylethoxy)-
CID 11029853
3-Methyl-4-(propan-2-yloxy)but-1-yne
CID 145869409
1-But-3-yn-2-yloxybutane
CID 21953474
3-But-3-yn-2-yloxybut-1-yne
CID 54560193
2-t-Butoxy-4-pentyne
CID 129802843
3-Methyl-1-propan-2-yloxybut-1-yne
CID 134922636
2-But-3-ynoxy-2-fluoro-3-methylbutane
CID 123591822
3-Isopropoxy-3-methyl-1-butyne
CID 550027
1-Butyne, 3-methyl-3-propoxy-
CID 550032

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methylpent-1-yne?
The IUPAC name of 4-ethoxy-3-methylpent-1-yne (CID 18551921) is 4-ethoxy-3-methylpent-1-yne.
What is the SMILES notation for 4-ethoxy-3-methylpent-1-yne?
The canonical SMILES for 4-ethoxy-3-methylpent-1-yne is C#CC(C)C(C)OCC.
What is the InChIKey of 4-ethoxy-3-methylpent-1-yne?
The InChIKey is WEGJUENFLSGRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-7(3)8(4)9-6-2/h1,7-8H,6H2,2-4H3.
What are the key properties of 4-ethoxy-3-methylpent-1-yne?
4-ethoxy-3-methylpent-1-yne has a molecular weight of 126.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methylpent-1-yne is sourced from PubChem (CID 18551921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).