butan-2-yl(tricyclohexyloxy)silane

C22H42O3Si — CID 69287504

IUPACbutan-2-yl(tricyclohexyloxy)silane
SMILESCCC(C)[Si](OC1CCCCC1)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C22H42O3Si/c1-3-19(2)26(23-20-13-7-4-8-14-20,24-21-15-9-5-10-16-21)25-22-17-11-6-12-18-22/h19-22H,3-18H2,1-2H3
InChIKeyLWNBKQUTBZGJBM-UHFFFAOYSA-N
MW382.66 g/mol
LogP6.77
Rot. Bonds8

About butan-2-yl(tricyclohexyloxy)silane

butan-2-yl(tricyclohexyloxy)silane (PubChem CID 69287504) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is butan-2-yl(tricyclohexyloxy)silane.

Molecular Properties

Compound Namebutan-2-yl(tricyclohexyloxy)silane
PubChem CID69287504
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Namebutan-2-yl(tricyclohexyloxy)silane
SMILESCCC(C)[Si](OC1CCCCC1)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C22H42O3Si/c1-3-19(2)26(23-20-13-7-4-8-14-20,24-21-15-9-5-10-16-21)25-22-17-11-6-12-18-22/h19-22H,3-18H2,1-2H3
InChIKeyLWNBKQUTBZGJBM-UHFFFAOYSA-N
XLogP6.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.77
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 butan-2-yl(tricyclohexyloxy)silane?
The IUPAC name of butan-2-yl(tricyclohexyloxy)silane (CID 69287504) is butan-2-yl(tricyclohexyloxy)silane.
What is the SMILES notation for butan-2-yl(tricyclohexyloxy)silane?
The canonical SMILES for butan-2-yl(tricyclohexyloxy)silane is CCC(C)[Si](OC1CCCCC1)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of butan-2-yl(tricyclohexyloxy)silane?
The InChIKey is LWNBKQUTBZGJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-3-19(2)26(23-20-13-7-4-8-14-20,24-21-15-9-5-10-16-21)25-22-17-11-6-12-18-22/h19-22H,3-18H2,1-2H3.
What are the key properties of butan-2-yl(tricyclohexyloxy)silane?
butan-2-yl(tricyclohexyloxy)silane has a molecular weight of 382.66 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(tricyclohexyloxy)silane is sourced from PubChem (CID 69287504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).