1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate

C104H144O22S2 — CID 158036769

About 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate

1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate (PubChem CID 158036769) has the molecular formula C104H144O22S2 and a molecular weight of 1810.41 g/mol. Its IUPAC name is 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate.

Molecular Properties

• Compound Name: 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate
• PubChem CID: 158036769
• Molecular Formula: C104H144O22S2
• Molecular Weight: 1810.41 g/mol
• Exact Mass: 1808.96
• IUPAC Name: 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate
• SMILES: C=C(C)C(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=CC(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSC1=CCC=C1.CC(C)OCC(CSC1=CCC=C1)OC(C)C
• InChI: InChI=1S/C20H28O2S.C19H26O5.C18H24O5.C17H22O4.C16H20O4.C14H24O2S/c1-15(2)17-9-11-18(12-10-17)21-13-19(22-16(3)4)14-23-20-7-5-6-8-20;1-14(2)16-7-9-17(10-8-16)22-12-13-23-18(20)6-5-11-24-19(21)15(3)4;1-4-17(19)22-11-5-6-18(20)23-13-12-21-16-9-7-15(8-10-16)14(2)3;1-12(2)15-7-5-14(6-8-15)11-16(18)20-9-10-21-17(19)13(3)4;1-4-15(17)19-9-10-20-16(18)11-13-5-7-14(8-6-13)12(2)3;1-11(2)15-9-13(16-12(3)4)10-17-14-7-5-6-8-14/h5,7-12,15-16,19H,6,13-14H2,1-4H3;7-10,14H,3,5-6,11-13H2,1-2,4H3;4,7-10,14H,1,5-6,11-13H2,2-3H3;5-8,12H,3,9-11H2,1-2,4H3;4-8,12H,1,9-11H2,2-3H3;5,7-8,11-13H,6,9-10H2,1-4H3
• InChIKey: FHVPEIHPSPGJER-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 265.78 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 51
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.41
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate?

The IUPAC name of 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate (CID 158036769) is 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate.

What is the SMILES notation for 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate?

The canonical SMILES for 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate is C=C(C)C(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=CC(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSC1=CCC=C1.CC(C)OCC(CSC1=CCC=C1)OC(C)C.

What is the InChIKey of 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate?

The InChIKey is FHVPEIHPSPGJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2S.C19H26O5.C18H24O5.C17H22O4.C16H20O4.C14H24O2S/c1-15(2)17-9-11-18(12-10-17)21-13-19(22-16(3)4)14-23-20-7-5-6-8-20;1-14(2)16-7-9-17(10-8-16)22-12-13-23-18(20)6-5-11-24-19(21)15(3)4;1-4-17(19)22-11-5-6-18(20)23-13-12-21-16-9-7-15(8-10-16)14(2)3;1-12(2)15-7-5-14(6-8-15)11-16(18)20-9-10-21-17(19)13(3)4;1-4-15(17)19-9-10-20-16(18)11-13-5-7-14(8-6-13)12(2)3;1-11(2)15-9-13(16-12(3)4)10-17-14-7-5-6-8-14/h5,7-12,15-16,19H,6,13-14H2,1-4H3;7-10,14H,3,5-6,11-13H2,1-2,4H3;4,7-10,14H,1,5-6,11-13H2,2-3H3;5-8,12H,3,9-11H2,1-2,4H3;4-8,12H,1,9-11H2,2-3H3;5,7-8,11-13H,6,9-10H2,1-4H3.

What are the key properties of 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate?

1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate has a molecular weight of 1810.41 g/mol, XLogP of 21.85, 51 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 158036769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).