(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate

C10H18O3 — CID 20643876

IUPAC(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)COCC
InChIInChI=1S/C10H18O3/c1-6-12-7-10(4,5)13-9(11)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyLSWSKXDHTPUTNM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds5

About (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate

(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate (PubChem CID 20643876) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
PubChem CID20643876
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)COCC
InChIInChI=1S/C10H18O3/c1-6-12-7-10(4,5)13-9(11)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyLSWSKXDHTPUTNM-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
CID 150505910
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
[2,4-dimethyl-4-(trimethyl-λ4-sulfanyl)pentan-2-yl] 2-methylprop-2-enoate
CID 167089242
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate
CID 174325066
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate (CID 20643876) is (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)COCC.
What is the InChIKey of (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate?
The InChIKey is LSWSKXDHTPUTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-12-7-10(4,5)13-9(11)8(2)3/h2,6-7H2,1,3-5H3.
What are the key properties of (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate?
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 20643876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).