(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol

C40H66O5Si3 — CID 162404924

About (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol

(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol (PubChem CID 162404924) has the molecular formula C40H66O5Si3 and a molecular weight of 711.22 g/mol. Its IUPAC name is (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol.

Molecular Properties

• Compound Name: (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol
• PubChem CID: 162404924
• Molecular Formula: C40H66O5Si3
• Molecular Weight: 711.22 g/mol
• Exact Mass: 710.42
• IUPAC Name: (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol
• SMILES: C=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C40H66O5Si3/c1-31-32(26-27-41)30-35(44-46(11,12)38(2,3)4)37(36(31)45-47(13,14)39(5,6)7)42-28-21-29-43-48(40(8,9)10,33-22-17-15-18-23-33)34-24-19-16-20-25-34/h15-20,22-26,35-37,41H,1,21,27-30H2,2-14H3/b32-26-/t35-,36-,37-/m1/s1
• InChIKey: DAWVDPORPIAUSI-TXZSVRNWSA-N
• XLogP: 9.00
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.22
LogP ≤ 5	9.00
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol?

The IUPAC name of (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol (CID 162404924) is (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol.

What is the SMILES notation for (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol?

The canonical SMILES for (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol is C=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol?

The InChIKey is DAWVDPORPIAUSI-TXZSVRNWSA-N. The full InChI is InChI=1S/C40H66O5Si3/c1-31-32(26-27-41)30-35(44-46(11,12)38(2,3)4)37(36(31)45-47(13,14)39(5,6)7)42-28-21-29-43-48(40(8,9)10,33-22-17-15-18-23-33)34-24-19-16-20-25-34/h15-20,22-26,35-37,41H,1,21,27-30H2,2-14H3/b32-26-/t35-,36-,37-/m1/s1.

What are the key properties of (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol?

(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol has a molecular weight of 711.22 g/mol, XLogP of 9.00, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol is sourced from PubChem (CID 162404924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).