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

C14H22O4 — CID 135235608

IUPAC1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)C1COC(C2CCCCC2)O1
InChIInChI=1S/C14H22O4/c1-3-13(15)17-10(2)12-9-16-14(18-12)11-7-5-4-6-8-11/h3,10-12,14H,1,4-9H2,2H3
InChIKeyZHWHTQKBBHTUJR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.43
Rot. Bonds4

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

1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate (PubChem CID 135235608) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate
PubChem CID135235608
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)C1COC(C2CCCCC2)O1
InChIInChI=1S/C14H22O4/c1-3-13(15)17-10(2)12-9-16-14(18-12)11-7-5-4-6-8-11/h3,10-12,14H,1,4-9H2,2H3
InChIKeyZHWHTQKBBHTUJR-UHFFFAOYSA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl 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-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
CID 174631406
1-morpholin-2-ylethyl prop-2-enoate
CID 22556289
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
but-2-enyl prop-2-enoate;1-(oxiran-2-yl)ethyl prop-2-enoate;propa-1,2-diene
CID 174889097
1-(dicyclohexylamino)ethyl prop-2-enoate
CID 142697109
1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate
CID 175032456
2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid
CID 151015738
1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate
CID 67747543
[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
CID 175540639
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid
CID 18375947
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate?
The IUPAC name of 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate (CID 135235608) is 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate.
What is the SMILES notation for 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate?
The canonical SMILES for 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate is C=CC(=O)OC(C)C1COC(C2CCCCC2)O1.
What is the InChIKey of 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate?
The InChIKey is ZHWHTQKBBHTUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-13(15)17-10(2)12-9-16-14(18-12)11-7-5-4-6-8-11/h3,10-12,14H,1,4-9H2,2H3.
What are the key properties of 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate?
1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate has a molecular weight of 254.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate is sourced from PubChem (CID 135235608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).