bis[(2-prop-2-enoxyphenyl)methyl] carbonate

C21H22O5 — CID 129103920

IUPACbis[(2-prop-2-enoxyphenyl)methyl] carbonate
SMILESC=CCOc1ccccc1COC(=O)OCc1ccccc1OCC=C
InChIInChI=1S/C21H22O5/c1-3-13-23-19-11-7-5-9-17(19)15-25-21(22)26-16-18-10-6-8-12-20(18)24-14-4-2/h3-12H,1-2,13-16H2
InChIKeyOUCVMEYTLVCGCB-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.67
Rot. Bonds10

About bis[(2-prop-2-enoxyphenyl)methyl] carbonate

bis[(2-prop-2-enoxyphenyl)methyl] carbonate (PubChem CID 129103920) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is bis[(2-prop-2-enoxyphenyl)methyl] carbonate.

Molecular Properties

Compound Namebis[(2-prop-2-enoxyphenyl)methyl] carbonate
PubChem CID129103920
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Namebis[(2-prop-2-enoxyphenyl)methyl] carbonate
SMILESC=CCOc1ccccc1COC(=O)OCc1ccccc1OCC=C
InChIInChI=1S/C21H22O5/c1-3-13-23-19-11-7-5-9-17(19)15-25-21(22)26-16-18-10-6-8-12-20(18)24-14-4-2/h3-12H,1-2,13-16H2
InChIKeyOUCVMEYTLVCGCB-UHFFFAOYSA-N
XLogP4.67
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis[(2-prop-2-enoxyphenyl)methyl] carbonate 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

1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
tert-butyl N-[(2-prop-2-enoxyphenyl)methylamino]carbamate
CID 107236651
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
CID 70191473
CID 70191473

Frequently Asked Questions

What is the IUPAC name of bis[(2-prop-2-enoxyphenyl)methyl] carbonate?
The IUPAC name of bis[(2-prop-2-enoxyphenyl)methyl] carbonate (CID 129103920) is bis[(2-prop-2-enoxyphenyl)methyl] carbonate.
What is the SMILES notation for bis[(2-prop-2-enoxyphenyl)methyl] carbonate?
The canonical SMILES for bis[(2-prop-2-enoxyphenyl)methyl] carbonate is C=CCOc1ccccc1COC(=O)OCc1ccccc1OCC=C.
What is the InChIKey of bis[(2-prop-2-enoxyphenyl)methyl] carbonate?
The InChIKey is OUCVMEYTLVCGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-3-13-23-19-11-7-5-9-17(19)15-25-21(22)26-16-18-10-6-8-12-20(18)24-14-4-2/h3-12H,1-2,13-16H2.
What are the key properties of bis[(2-prop-2-enoxyphenyl)methyl] carbonate?
bis[(2-prop-2-enoxyphenyl)methyl] carbonate has a molecular weight of 354.40 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-prop-2-enoxyphenyl)methyl] carbonate is sourced from PubChem (CID 129103920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).