bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate

C17H18O7 — CID 23067928

IUPACbis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate
SMILESC=COC(=O)CC(CC(=O)OC=C)OC(=O)OCc1ccccc1
InChIInChI=1S/C17H18O7/c1-3-21-15(18)10-14(11-16(19)22-4-2)24-17(20)23-12-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2
InChIKeyPPCREEWEJLYSKL-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.86
Rot. Bonds9

About bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate

bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate (PubChem CID 23067928) has the molecular formula C17H18O7 and a molecular weight of 334.32 g/mol. Its IUPAC name is bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate.

Molecular Properties

Compound Namebis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate
PubChem CID23067928
Molecular FormulaC17H18O7
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Namebis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate
SMILESC=COC(=O)CC(CC(=O)OC=C)OC(=O)OCc1ccccc1
InChIInChI=1S/C17H18O7/c1-3-21-15(18)10-14(11-16(19)22-4-2)24-17(20)23-12-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2
InChIKeyPPCREEWEJLYSKL-UHFFFAOYSA-N
XLogP2.86
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate 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

benzyl 1-phenylmethoxycarbonyloxybut-3-en-2-yl carbonate
CID 22891815
1-ethenoxy-1,4-dioxo-4-phenylmethoxybutane-2-sulfonic acid
CID 101120292
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
benzyl (3R)-3-hydroxypent-4-enoate
CID 101049169
benzyl (3S)-3-hydroxypent-4-enoate
CID 141136678
1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
benzyl 2-ethenoxyethyl carbonate
CID 19813780
benzyl 1,2,2-trifluoroethyl carbonate
CID 70262642
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl but-3-enoate
CID 11019385
ethenyl (3R)-3-phenylbutanoate
CID 10487918

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate?
The IUPAC name of bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate (CID 23067928) is bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate.
What is the SMILES notation for bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate?
The canonical SMILES for bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate is C=COC(=O)CC(CC(=O)OC=C)OC(=O)OCc1ccccc1.
What is the InChIKey of bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate?
The InChIKey is PPCREEWEJLYSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O7/c1-3-21-15(18)10-14(11-16(19)22-4-2)24-17(20)23-12-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2.
What are the key properties of bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate?
bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate has a molecular weight of 334.32 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) 3-phenylmethoxycarbonyloxypentanedioate is sourced from PubChem (CID 23067928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).