1-but-3-yn-2-yloxy-3-methylbut-2-ene

C9H14O — CID 101097437

IUPAC1-but-3-yn-2-yloxy-3-methylbut-2-ene
SMILESC#CC(C)OCC=C(C)C
InChIInChI=1S/C9H14O/c1-5-9(4)10-7-6-8(2)3/h1,6,9H,7H2,2-4H3
InChIKeyXAEUUFYPJXPYRF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.99
Rot. Bonds3

About 1-but-3-yn-2-yloxy-3-methylbut-2-ene

1-but-3-yn-2-yloxy-3-methylbut-2-ene (PubChem CID 101097437) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-but-3-yn-2-yloxy-3-methylbut-2-ene.

Molecular Properties

Compound Name1-but-3-yn-2-yloxy-3-methylbut-2-ene
PubChem CID101097437
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-but-3-yn-2-yloxy-3-methylbut-2-ene
SMILESC#CC(C)OCC=C(C)C
InChIInChI=1S/C9H14O/c1-5-9(4)10-7-6-8(2)3/h1,6,9H,7H2,2-4H3
InChIKeyXAEUUFYPJXPYRF-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbut-2-enoxy)pent-1-ene
CID 175435022
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
[2,2-dichloro-3-methyl-1-(3-methylbut-2-enoxy)butyl] acetate
CID 101459445
3-methylbut-2-enoxyphosphane
CID 122609707
3-(3,3,3-trifluoropropoxy)but-1-yne
CID 54141524
but-3-yn-2-yl prop-2-enyl carbonate
CID 100927907
1-(2,2-diethoxyethoxy)-3-methylbut-2-ene
CID 14358530
3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol
CID 91368736
2-(butan-2-yloxymethyl)-3-but-3-yn-2-yloxypropan-1-ol
CID 175370185
(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene
CID 24775864
5-bromo-6-(chloromethyl)-2-(3-methylbut-2-enoxy)octa-3,5-diene
CID 123598249
[2-bromo-2,2-difluoro-1-(3-methylbut-2-enoxy)ethoxy]-trimethylsilane
CID 10567471

Frequently Asked Questions

What is the IUPAC name of 1-but-3-yn-2-yloxy-3-methylbut-2-ene?
The IUPAC name of 1-but-3-yn-2-yloxy-3-methylbut-2-ene (CID 101097437) is 1-but-3-yn-2-yloxy-3-methylbut-2-ene.
What is the SMILES notation for 1-but-3-yn-2-yloxy-3-methylbut-2-ene?
The canonical SMILES for 1-but-3-yn-2-yloxy-3-methylbut-2-ene is C#CC(C)OCC=C(C)C.
What is the InChIKey of 1-but-3-yn-2-yloxy-3-methylbut-2-ene?
The InChIKey is XAEUUFYPJXPYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-5-9(4)10-7-6-8(2)3/h1,6,9H,7H2,2-4H3.
What are the key properties of 1-but-3-yn-2-yloxy-3-methylbut-2-ene?
1-but-3-yn-2-yloxy-3-methylbut-2-ene has a molecular weight of 138.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-yn-2-yloxy-3-methylbut-2-ene is sourced from PubChem (CID 101097437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).