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

C21H41ClO2Si — CID 586628

IUPACchloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
SMILESCC1CCC(C(C)C)C(O[Si](C)(Cl)OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C21H41ClO2Si/c1-14(2)18-10-8-16(5)12-20(18)23-25(7,22)24-21-13-17(6)9-11-19(21)15(3)4/h14-21H,8-13H2,1-7H3
InChIKeyKECCETSEPQJFJF-UHFFFAOYSA-N
MW389.10 g/mol
LogP6.75
Rot. Bonds6

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

chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane (PubChem CID 586628) has the molecular formula C21H41ClO2Si and a molecular weight of 389.10 g/mol. Its IUPAC name is chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane.

Molecular Properties

Compound Namechloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
PubChem CID586628
Molecular FormulaC21H41ClO2Si
Molecular Weight389.10 g/mol
Exact Mass388.26
IUPAC Namechloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
SMILESCC1CCC(C(C)C)C(O[Si](C)(Cl)OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C21H41ClO2Si/c1-14(2)18-10-8-16(5)12-20(18)23-25(7,22)24-21-13-17(6)9-11-19(21)15(3)4/h14-21H,8-13H2,1-7H3
InChIKeyKECCETSEPQJFJF-UHFFFAOYSA-N
XLogP6.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.10
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The IUPAC name of chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane (CID 586628) is chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane.
What is the SMILES notation for chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The canonical SMILES for chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane is CC1CCC(C(C)C)C(O[Si](C)(Cl)OC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The InChIKey is KECCETSEPQJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41ClO2Si/c1-14(2)18-10-8-16(5)12-20(18)23-25(7,22)24-21-13-17(6)9-11-19(21)15(3)4/h14-21H,8-13H2,1-7H3.
What are the key properties of chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane has a molecular weight of 389.10 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane is sourced from PubChem (CID 586628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).