2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]

C53H64O — CID 168815175

About 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]

2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane] (PubChem CID 168815175) has the molecular formula C53H64O and a molecular weight of 717.09 g/mol. Its IUPAC name is 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane].

Molecular Properties

• Compound Name: 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]
• PubChem CID: 168815175
• Molecular Formula: C53H64O
• Molecular Weight: 717.09 g/mol
• Exact Mass: 716.50
• IUPAC Name: 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]
• SMILES: Cc1cc(C)c2c(C)cc3c(c2c1)C1(c2ccc4c(c2-3)C(C)(C)c2c-4oc3ccc(CC(C)C)cc23)C(C2CCCCC2)C(C(C)C)C1C1CCCCC1
• InChI: InChI=1S/C53H64O/c1-29(2)24-34-20-23-42-38(28-34)50-51(54-42)37-21-22-41-45(49(37)52(50,8)9)40-27-33(7)44-32(6)25-31(5)26-39(44)48(40)53(41)46(35-16-12-10-13-17-35)43(30(3)4)47(53)36-18-14-11-15-19-36/h20-23,25-30,35-36,43,46-47H,10-19,24H2,1-9H3
• InChIKey: AKTCXVACWAZVOG-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.09
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]?

The IUPAC name of 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane] (CID 168815175) is 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane].

What is the SMILES notation for 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]?

The canonical SMILES for 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane] is Cc1cc(C)c2c(C)cc3c(c2c1)C1(c2ccc4c(c2-3)C(C)(C)c2c-4oc3ccc(CC(C)C)cc23)C(C2CCCCC2)C(C(C)C)C1C1CCCCC1.

What is the InChIKey of 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]?

The InChIKey is AKTCXVACWAZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H64O/c1-29(2)24-34-20-23-42-38(28-34)50-51(54-42)37-21-22-41-45(49(37)52(50,8)9)40-27-33(7)44-32(6)25-31(5)26-39(44)48(40)53(41)46(35-16-12-10-13-17-35)43(30(3)4)47(53)36-18-14-11-15-19-36/h20-23,25-30,35-36,43,46-47H,10-19,24H2,1-9H3.

What are the key properties of 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]?

2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane] has a molecular weight of 717.09 g/mol, XLogP of 14.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane] is sourced from PubChem (CID 168815175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).