chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane

C22H29ClOSi — CID 58895116

IUPACchloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29ClOSi/c1-17(2)21-15-14-18(3)16-22(21)24-25(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22-/m1/s1
InChIKeyQSCOYQCVPOKCDD-BVYCBKJFSA-N
MW373.01 g/mol
LogP4.96
Rot. Bonds5

About chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane

chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane (PubChem CID 58895116) has the molecular formula C22H29ClOSi and a molecular weight of 373.01 g/mol. Its IUPAC name is chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane.

Molecular Properties

Compound Namechloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane
PubChem CID58895116
Molecular FormulaC22H29ClOSi
Molecular Weight373.01 g/mol
Exact Mass372.17
IUPAC Namechloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29ClOSi/c1-17(2)21-15-14-18(3)16-22(21)24-25(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22-/m1/s1
InChIKeyQSCOYQCVPOKCDD-BVYCBKJFSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.01
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane?
The IUPAC name of chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane (CID 58895116) is chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane.
What is the SMILES notation for chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane?
The canonical SMILES for chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane?
The InChIKey is QSCOYQCVPOKCDD-BVYCBKJFSA-N. The full InChI is InChI=1S/C22H29ClOSi/c1-17(2)21-15-14-18(3)16-22(21)24-25(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22-/m1/s1.
What are the key properties of chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane?
chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane has a molecular weight of 373.01 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-diphenylsilane is sourced from PubChem (CID 58895116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).