2-ethoxybutan-2-yl 2-methylprop-2-enoate

C10H18O3 — CID 175455949

IUPAC2-ethoxybutan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(CC)OCC
InChIInChI=1S/C10H18O3/c1-6-10(5,12-7-2)13-9(11)8(3)4/h3,6-7H2,1-2,4-5H3
InChIKeyFDBPNHWQCIPPBB-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds5

About 2-ethoxybutan-2-yl 2-methylprop-2-enoate

2-ethoxybutan-2-yl 2-methylprop-2-enoate (PubChem CID 175455949) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethoxybutan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-ethoxybutan-2-yl 2-methylprop-2-enoate
PubChem CID175455949
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethoxybutan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(CC)OCC
InChIInChI=1S/C10H18O3/c1-6-10(5,12-7-2)13-9(11)8(3)4/h3,6-7H2,1-2,4-5H3
InChIKeyFDBPNHWQCIPPBB-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
4-(2-ethoxypropan-2-yl)dodecan-4-yl 2-methylprop-2-enoate
CID 150043566
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
CID 87307438
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
4-ethoxy-2,4-dimethylpent-1-en-3-one
CID 116710261
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
(3-ethyl-2,4-dimethylhexan-3-yl) 2-methylprop-2-enoate
CID 160518137
(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
CID 20643704

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-ethoxybutan-2-yl 2-methylprop-2-enoate (CID 175455949) is 2-ethoxybutan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-ethoxybutan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-ethoxybutan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(CC)OCC.
What is the InChIKey of 2-ethoxybutan-2-yl 2-methylprop-2-enoate?
The InChIKey is FDBPNHWQCIPPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-10(5,12-7-2)13-9(11)8(3)4/h3,6-7H2,1-2,4-5H3.
What are the key properties of 2-ethoxybutan-2-yl 2-methylprop-2-enoate?
2-ethoxybutan-2-yl 2-methylprop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 175455949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).