2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane

C132H182O5 — CID 158065409

About 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane

2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane (PubChem CID 158065409) has the molecular formula C132H182O5 and a molecular weight of 1848.90 g/mol. Its IUPAC name is 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane.

Molecular Properties

• Compound Name: 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane
• PubChem CID: 158065409
• Molecular Formula: C132H182O5
• Molecular Weight: 1848.90 g/mol
• Exact Mass: 1847.40
• IUPAC Name: 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane
• SMILES: C#Cc1c(C)c(C)c(OC2CCCCO2)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C#Cc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C#Cc2c(C)c(C)c(O)c(C)c2C)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C#Cc2c(C)c(C)c(OC3CCCCO3)c(C)c2C)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C)c(C)c1C
• InChI: InChI=1S/C35H48O2.C31H42.C30H40O.C19H30.C17H22O2/c1-10-11-12-15-29-20-32(29)34-25(6)21(2)30(22(3)26(34)7)17-18-31-23(4)27(8)35(28(9)24(31)5)37-33-16-13-14-19-36-33;1-11-12-13-14-27-17-30(27)31-25(9)23(7)29(24(8)26(31)10)16-15-28-21(5)19(3)18(2)20(4)22(28)6;1-10-11-12-13-25-16-28(25)29-21(6)17(2)26(18(3)22(29)7)14-15-27-19(4)23(8)30(31)24(9)20(27)5;1-7-8-9-10-17-11-18(17)19-15(5)13(3)12(2)14(4)16(19)6;1-6-15-11(2)13(4)17(14(5)12(15)3)19-16-9-7-8-10-18-16/h29,32-33H,10-16,19-20H2,1-9H3;27,30H,11-14,17H2,1-10H3;25,28,31H,10-13,16H2,1-9H3;17-18H,7-11H2,1-6H3;1,16H,7-10H2,2-5H3
• InChIKey: FLDWBDHXGDJCIZ-UHFFFAOYSA-N
• XLogP: 35.35
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1848.90
LogP ≤ 5	35.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane?

The IUPAC name of 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane (CID 158065409) is 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane.

What is the SMILES notation for 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane?

The canonical SMILES for 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane is C#Cc1c(C)c(C)c(OC2CCCCO2)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C#Cc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C#Cc2c(C)c(C)c(O)c(C)c2C)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C#Cc2c(C)c(C)c(OC3CCCCO3)c(C)c2C)c(C)c1C.CCCCCC1CC1c1c(C)c(C)c(C)c(C)c1C.

What is the InChIKey of 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane?

The InChIKey is FLDWBDHXGDJCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48O2.C31H42.C30H40O.C19H30.C17H22O2/c1-10-11-12-15-29-20-32(29)34-25(6)21(2)30(22(3)26(34)7)17-18-31-23(4)27(8)35(28(9)24(31)5)37-33-16-13-14-19-36-33;1-11-12-13-14-27-17-30(27)31-25(9)23(7)29(24(8)26(31)10)16-15-28-21(5)19(3)18(2)20(4)22(28)6;1-10-11-12-13-25-16-28(25)29-21(6)17(2)26(18(3)22(29)7)14-15-27-19(4)23(8)30(31)24(9)20(27)5;1-7-8-9-10-17-11-18(17)19-15(5)13(3)12(2)14(4)16(19)6;1-6-15-11(2)13(4)17(14(5)12(15)3)19-16-9-7-8-10-18-16/h29,32-33H,10-16,19-20H2,1-9H3;27,30H,11-14,17H2,1-10H3;25,28,31H,10-13,16H2,1-9H3;17-18H,7-11H2,1-6H3;1,16H,7-10H2,2-5H3.

What are the key properties of 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane?

2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane has a molecular weight of 1848.90 g/mol, XLogP of 35.35, 24 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane is sourced from PubChem (CID 158065409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).