ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate

C193H218O44 — CID 162074025

IUPACethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
SMILESC=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C32H34O7.C31H32O7.C30H30O8.C30H30O7.C29H28O8.C29H28O7.6C2H6/c1-3-5-9-24-10-12-25(13-11-24)31(34)38-28-18-20-29(21-19-28)39-32(35)26-14-16-27(17-15-26)36-22-7-6-8-23-37-30(33)4-2;1-3-8-23-9-11-24(12-10-23)30(33)37-27-17-19-28(20-18-27)38-31(34)25-13-15-26(16-14-25)35-21-6-5-7-22-36-29(32)4-2;1-3-28(31)36-21-7-5-6-20-35-25-14-10-23(11-15-25)30(33)38-27-18-16-26(17-19-27)37-29(32)22-8-12-24(13-9-22)34-4-2;1-3-22-8-10-23(11-9-22)29(32)36-26-16-18-27(19-17-26)37-30(33)24-12-14-25(15-13-24)34-20-6-5-7-21-35-28(31)4-2;1-3-27(30)35-20-6-4-5-19-34-24-13-9-22(10-14-24)29(32)37-26-17-15-25(16-18-26)36-28(31)21-7-11-23(33-2)12-8-21;1-3-27(30)34-20-6-4-5-19-33-24-13-11-23(12-14-24)29(32)36-26-17-15-25(16-18-26)35-28(31)22-9-7-21(2)8-10-22;6*1-2/h4,10-21H,2-3,5-9,22-23H2,1H3;4,9-20H,2-3,5-8,21-22H2,1H3;3,8-19H,1,4-7,20-21H2,2H3;4,8-19H,2-3,5-7,20-21H2,1H3;3,7-18H,1,4-6,19-20H2,2H3;3,7-18H,1,4-6,19-20H2,2H3;6*1-2H3
InChIKeyZBLVSFKCVZEPJW-UHFFFAOYSA-N
MW3241.82 g/mol
LogP42.15
Rot. Bonds81

About ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate

ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate (PubChem CID 162074025) has the molecular formula C193H218O44 and a molecular weight of 3241.82 g/mol. Its IUPAC name is ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate.

Molecular Properties

Compound Nameethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
PubChem CID162074025
Molecular FormulaC193H218O44
Molecular Weight3241.82 g/mol
Exact Mass3239.48
IUPAC Nameethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
SMILESC=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C32H34O7.C31H32O7.C30H30O8.C30H30O7.C29H28O8.C29H28O7.6C2H6/c1-3-5-9-24-10-12-25(13-11-24)31(34)38-28-18-20-29(21-19-28)39-32(35)26-14-16-27(17-15-26)36-22-7-6-8-23-37-30(33)4-2;1-3-8-23-9-11-24(12-10-23)30(33)37-27-17-19-28(20-18-27)38-31(34)25-13-15-26(16-14-25)35-21-6-5-7-22-36-29(32)4-2;1-3-28(31)36-21-7-5-6-20-35-25-14-10-23(11-15-25)30(33)38-27-18-16-26(17-19-27)37-29(32)22-8-12-24(13-9-22)34-4-2;1-3-22-8-10-23(11-9-22)29(32)36-26-16-18-27(19-17-26)37-30(33)24-12-14-25(15-13-24)34-20-6-5-7-21-35-28(31)4-2;1-3-27(30)35-20-6-4-5-19-34-24-13-9-22(10-14-24)29(32)37-26-17-15-25(16-18-26)36-28(31)21-7-11-23(33-2)12-8-21;1-3-27(30)34-20-6-4-5-19-33-24-13-11-23(12-14-24)29(32)36-26-17-15-25(16-18-26)35-28(31)22-9-7-21(2)8-10-22;6*1-2/h4,10-21H,2-3,5-9,22-23H2,1H3;4,9-20H,2-3,5-8,21-22H2,1H3;3,8-19H,1,4-7,20-21H2,2H3;4,8-19H,2-3,5-7,20-21H2,1H3;3,7-18H,1,4-6,19-20H2,2H3;3,7-18H,1,4-6,19-20H2,2H3;6*1-2H3
InChIKeyZBLVSFKCVZEPJW-UHFFFAOYSA-N
XLogP42.15
TPSA547.24 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds81
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003241.82
LogP ≤ 542.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

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': 'phenol_ester', 'substructure': 'N/A'}

Analyze ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate 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

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
The IUPAC name of ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate (CID 162074025) is ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate.
What is the SMILES notation for ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
The canonical SMILES for ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate is C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
The InChIKey is ZBLVSFKCVZEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O7.C31H32O7.C30H30O8.C30H30O7.C29H28O8.C29H28O7.6C2H6/c1-3-5-9-24-10-12-25(13-11-24)31(34)38-28-18-20-29(21-19-28)39-32(35)26-14-16-27(17-15-26)36-22-7-6-8-23-37-30(33)4-2;1-3-8-23-9-11-24(12-10-23)30(33)37-27-17-19-28(20-18-27)38-31(34)25-13-15-26(16-14-25)35-21-6-5-7-22-36-29(32)4-2;1-3-28(31)36-21-7-5-6-20-35-25-14-10-23(11-15-25)30(33)38-27-18-16-26(17-19-27)37-29(32)22-8-12-24(13-9-22)34-4-2;1-3-22-8-10-23(11-9-22)29(32)36-26-16-18-27(19-17-26)37-30(33)24-12-14-25(15-13-24)34-20-6-5-7-21-35-28(31)4-2;1-3-27(30)35-20-6-4-5-19-34-24-13-9-22(10-14-24)29(32)37-26-17-15-25(16-18-26)36-28(31)21-7-11-23(33-2)12-8-21;1-3-27(30)34-20-6-4-5-19-33-24-13-11-23(12-14-24)29(32)36-26-17-15-25(16-18-26)35-28(31)22-9-7-21(2)8-10-22;6*1-2/h4,10-21H,2-3,5-9,22-23H2,1H3;4,9-20H,2-3,5-8,21-22H2,1H3;3,8-19H,1,4-7,20-21H2,2H3;4,8-19H,2-3,5-7,20-21H2,1H3;3,7-18H,1,4-6,19-20H2,2H3;3,7-18H,1,4-6,19-20H2,2H3;6*1-2H3.
What are the key properties of ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate has a molecular weight of 3241.82 g/mol, XLogP of 42.15, 81 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate is sourced from PubChem (CID 162074025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).