2-methylpent-3-yn-2-yl 2-methylprop-2-enoate

C10H14O2 — CID 164803611

IUPAC2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C#CC
InChIInChI=1S/C10H14O2/c1-6-7-10(4,5)12-9(11)8(2)3/h2H2,1,3-5H3
InChIKeyUDJJAWZLOHETOZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds2

About 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate

2-methylpent-3-yn-2-yl 2-methylprop-2-enoate (PubChem CID 164803611) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
PubChem CID164803611
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C#CC
InChIInChI=1S/C10H14O2/c1-6-7-10(4,5)12-9(11)8(2)3/h2H2,1,3-5H3
InChIKeyUDJJAWZLOHETOZ-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196
(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
CID 164803622
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
CID 163490890
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
2-isothiocyanatopropan-2-yl 2-methylprop-2-enoate
CID 134537634
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate (CID 164803611) is 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C#CC.
What is the InChIKey of 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate?
The InChIKey is UDJJAWZLOHETOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-7-10(4,5)12-9(11)8(2)3/h2H2,1,3-5H3.
What are the key properties of 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate?
2-methylpent-3-yn-2-yl 2-methylprop-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-3-yn-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 164803611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).