1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate

C12H20O4 — CID 67003798

IUPAC1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)C1COC(C)(CC)O1
InChIInChI=1S/C12H20O4/c1-5-9(15-11(13)6-2)10-8-14-12(4,7-3)16-10/h6,9-10H,2,5,7-8H2,1,3-4H3
InChIKeyZHPYMXNWNBBNHT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate

1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate (PubChem CID 67003798) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate.

Molecular Properties

Compound Name1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate
PubChem CID67003798
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)C1COC(C)(CC)O1
InChIInChI=1S/C12H20O4/c1-5-9(15-11(13)6-2)10-8-14-12(4,7-3)16-10/h6,9-10H,2,5,7-8H2,1,3-4H3
InChIKeyZHPYMXNWNBBNHT-UHFFFAOYSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate
CID 175513416
[1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluorobut-3-enyl] prop-2-enoate
CID 91987947
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
CID 174631406
bis[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl] butanedioate
CID 139293602
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methylidenebutanoic acid
CID 90355809
1-[2-[2-[[4-(1-prop-2-enoyloxypropyl)-1,3-dithiolan-2-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dithiolan-4-yl]propyl prop-2-enoate
CID 22602302
2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
CID 77335045
1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate
CID 138707568
CID 172734708
CID 172734708
1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate
CID 141251975

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate?
The IUPAC name of 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate (CID 67003798) is 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate.
What is the SMILES notation for 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate?
The canonical SMILES for 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate is C=CC(=O)OC(CC)C1COC(C)(CC)O1.
What is the InChIKey of 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate?
The InChIKey is ZHPYMXNWNBBNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-9(15-11(13)6-2)10-8-14-12(4,7-3)16-10/h6,9-10H,2,5,7-8H2,1,3-4H3.
What are the key properties of 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate?
1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate is sourced from PubChem (CID 67003798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).