2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane

C37H42O9 — CID 145475606

IUPAC2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
SMILESC=CC(=O)OCCOc1ccc(C(C)(c2ccc(OCCOC(=O)C=C)cc2)c2ccc(OCCOC(=O)C=C)cc2)cc1.CC
InChIInChI=1S/C35H36O9.C2H6/c1-5-32(36)42-23-20-39-29-14-8-26(9-15-29)35(4,27-10-16-30(17-11-27)40-21-24-43-33(37)6-2)28-12-18-31(19-13-28)41-22-25-44-34(38)7-3;1-2/h5-19H,1-3,20-25H2,4H3;1-2H3
InChIKeyBAEIUPJWSSATOW-UHFFFAOYSA-N
MW630.73 g/mol
LogP6.39
Rot. Bonds18

About 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane

2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane (PubChem CID 145475606) has the molecular formula C37H42O9 and a molecular weight of 630.73 g/mol. Its IUPAC name is 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane.

Molecular Properties

Compound Name2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
PubChem CID145475606
Molecular FormulaC37H42O9
Molecular Weight630.73 g/mol
Exact Mass630.28
IUPAC Name2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
SMILESC=CC(=O)OCCOc1ccc(C(C)(c2ccc(OCCOC(=O)C=C)cc2)c2ccc(OCCOC(=O)C=C)cc2)cc1.CC
InChIInChI=1S/C35H36O9.C2H6/c1-5-32(36)42-23-20-39-29-14-8-26(9-15-29)35(4,27-10-16-30(17-11-27)40-21-24-43-33(37)6-2)28-12-18-31(19-13-28)41-22-25-44-34(38)7-3;1-2/h5-19H,1-3,20-25H2,4H3;1-2H3
InChIKeyBAEIUPJWSSATOW-UHFFFAOYSA-N
XLogP6.39
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.73
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane 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-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 151210127
2-[3-[4-[2-[4-[3-(2-prop-2-enoyloxyethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]ethyl prop-2-enoate
CID 158911579
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
2-[4-[2-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59129637
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane?
The IUPAC name of 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane (CID 145475606) is 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane.
What is the SMILES notation for 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane?
The canonical SMILES for 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane is C=CC(=O)OCCOc1ccc(C(C)(c2ccc(OCCOC(=O)C=C)cc2)c2ccc(OCCOC(=O)C=C)cc2)cc1.CC.
What is the InChIKey of 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane?
The InChIKey is BAEIUPJWSSATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O9.C2H6/c1-5-32(36)42-23-20-39-29-14-8-26(9-15-29)35(4,27-10-16-30(17-11-27)40-21-24-43-33(37)6-2)28-12-18-31(19-13-28)41-22-25-44-34(38)7-3;1-2/h5-19H,1-3,20-25H2,4H3;1-2H3.
What are the key properties of 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane?
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane has a molecular weight of 630.73 g/mol, XLogP of 6.39, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane is sourced from PubChem (CID 145475606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).