trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane

C33H64O3Si3 — CID 165362380

IUPACtrimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane
SMILESCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O[Si](C)(C)C)CC[C@H]2CCCO[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C33H64O3Si3/c1-13-14-15-16-23-33(2,3)28-20-22-30(32(25-28)36-39(10,11)12)31-26-29(35-38(7,8)9)21-19-27(31)18-17-24-34-37(4,5)6/h20,22,25,27,29,31H,13-19,21,23-24,26H2,1-12H3/t27-,29-,31-/m1/s1
InChIKeyAGOIKXSOUBIFCG-MPGAWZFDSA-N
MW593.13 g/mol
LogP10.88
Rot. Bonds16

About trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane

trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane (PubChem CID 165362380) has the molecular formula C33H64O3Si3 and a molecular weight of 593.13 g/mol. Its IUPAC name is trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane.

Molecular Properties

Compound Nametrimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane
PubChem CID165362380
Molecular FormulaC33H64O3Si3
Molecular Weight593.13 g/mol
Exact Mass592.42
IUPAC Nametrimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane
SMILESCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O[Si](C)(C)C)CC[C@H]2CCCO[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C33H64O3Si3/c1-13-14-15-16-23-33(2,3)28-20-22-30(32(25-28)36-39(10,11)12)31-26-29(35-38(7,8)9)21-19-27(31)18-17-24-34-37(4,5)6/h20,22,25,27,29,31H,13-19,21,23-24,26H2,1-12H3/t27-,29-,31-/m1/s1
InChIKeyAGOIKXSOUBIFCG-MPGAWZFDSA-N
XLogP10.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.13
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane?
The IUPAC name of trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane (CID 165362380) is trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane.
What is the SMILES notation for trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane?
The canonical SMILES for trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane is CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O[Si](C)(C)C)CC[C@H]2CCCO[Si](C)(C)C)c(O[Si](C)(C)C)c1.
What is the InChIKey of trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane?
The InChIKey is AGOIKXSOUBIFCG-MPGAWZFDSA-N. The full InChI is InChI=1S/C33H64O3Si3/c1-13-14-15-16-23-33(2,3)28-20-22-30(32(25-28)36-39(10,11)12)31-26-29(35-38(7,8)9)21-19-27(31)18-17-24-34-37(4,5)6/h20,22,25,27,29,31H,13-19,21,23-24,26H2,1-12H3/t27-,29-,31-/m1/s1.
What are the key properties of trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane?
trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane has a molecular weight of 593.13 g/mol, XLogP of 10.88, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(1R,2R,4R)-2-[4-(2-methyloctan-2-yl)-2-trimethylsilyloxyphenyl]-4-trimethylsilyloxycyclohexyl]propoxy]silane is sourced from PubChem (CID 165362380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).