methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane

C31H60O3Si — CID 555589

IUPACmethyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
SMILESCC1CCC(C(C)C)C(O[Si](C)(OC2CC(C)CCC2C(C)C)OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C31H60O3Si/c1-20(2)26-14-11-23(7)17-29(26)32-35(10,33-30-18-24(8)12-15-27(30)21(3)4)34-31-19-25(9)13-16-28(31)22(5)6/h20-31H,11-19H2,1-10H3
InChIKeyVVLZDUWLUGVKGX-UHFFFAOYSA-N
MW508.90 g/mol
LogP8.99
Rot. Bonds9

About methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane

methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane (PubChem CID 555589) has the molecular formula C31H60O3Si and a molecular weight of 508.90 g/mol. Its IUPAC name is methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane.

Molecular Properties

Compound Namemethyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
PubChem CID555589
Molecular FormulaC31H60O3Si
Molecular Weight508.90 g/mol
Exact Mass508.43
IUPAC Namemethyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
SMILESCC1CCC(C(C)C)C(O[Si](C)(OC2CC(C)CCC2C(C)C)OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C31H60O3Si/c1-20(2)26-14-11-23(7)17-29(26)32-35(10,33-30-18-24(8)12-15-27(30)21(3)4)34-31-19-25(9)13-16-28(31)22(5)6/h20-31H,11-19H2,1-10H3
InChIKeyVVLZDUWLUGVKGX-UHFFFAOYSA-N
XLogP8.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.90
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The IUPAC name of methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane (CID 555589) is methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane.
What is the SMILES notation for methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The canonical SMILES for methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane is CC1CCC(C(C)C)C(O[Si](C)(OC2CC(C)CCC2C(C)C)OC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The InChIKey is VVLZDUWLUGVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60O3Si/c1-20(2)26-14-11-23(7)17-29(26)32-35(10,33-30-18-24(8)12-15-27(30)21(3)4)34-31-19-25(9)13-16-28(31)22(5)6/h20-31H,11-19H2,1-10H3.
What are the key properties of methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane has a molecular weight of 508.90 g/mol, XLogP of 8.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane is sourced from PubChem (CID 555589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).