cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane

C14H32O2Si2 — CID 140840487

IUPACcyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane
SMILESCCCCCC[Si](C)(O)[Si](C)(O)C1CCCCC1
InChIInChI=1S/C14H32O2Si2/c1-4-5-6-10-13-17(2,15)18(3,16)14-11-8-7-9-12-14/h14-16H,4-13H2,1-3H3
InChIKeyKZRVFXXIFLEHIS-UHFFFAOYSA-N
MW288.58 g/mol
LogP4.11
Rot. Bonds7

About cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane

cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane (PubChem CID 140840487) has the molecular formula C14H32O2Si2 and a molecular weight of 288.58 g/mol. Its IUPAC name is cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane.

Molecular Properties

Compound Namecyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane
PubChem CID140840487
Molecular FormulaC14H32O2Si2
Molecular Weight288.58 g/mol
Exact Mass288.19
IUPAC Namecyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane
SMILESCCCCCC[Si](C)(O)[Si](C)(O)C1CCCCC1
InChIInChI=1S/C14H32O2Si2/c1-4-5-6-10-13-17(2,15)18(3,16)14-11-8-7-9-12-14/h14-16H,4-13H2,1-3H3
InChIKeyKZRVFXXIFLEHIS-UHFFFAOYSA-N
XLogP4.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane?
The IUPAC name of cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane (CID 140840487) is cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane.
What is the SMILES notation for cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane?
The canonical SMILES for cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane is CCCCCC[Si](C)(O)[Si](C)(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane?
The InChIKey is KZRVFXXIFLEHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si2/c1-4-5-6-10-13-17(2,15)18(3,16)14-11-8-7-9-12-14/h14-16H,4-13H2,1-3H3.
What are the key properties of cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane?
cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane has a molecular weight of 288.58 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(hexyl-hydroxy-methylsilyl)-hydroxy-methylsilane is sourced from PubChem (CID 140840487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).