cyclohexyl-dimethyl-tetradecan-4-yloxysilane

C22H46OSi — CID 554902

IUPACcyclohexyl-dimethyl-tetradecan-4-yloxysilane
SMILESCCCCCCCCCCC(CCC)O[Si](C)(C)C1CCCCC1
InChIInChI=1S/C22H46OSi/c1-5-7-8-9-10-11-12-14-18-21(17-6-2)23-24(3,4)22-19-15-13-16-20-22/h21-22H,5-20H2,1-4H3
InChIKeyRLIKZSRPQIFEFD-UHFFFAOYSA-N
MW354.70 g/mol
LogP8.24
Rot. Bonds14

About cyclohexyl-dimethyl-tetradecan-4-yloxysilane

cyclohexyl-dimethyl-tetradecan-4-yloxysilane (PubChem CID 554902) has the molecular formula C22H46OSi and a molecular weight of 354.70 g/mol. Its IUPAC name is cyclohexyl-dimethyl-tetradecan-4-yloxysilane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-tetradecan-4-yloxysilane
PubChem CID554902
Molecular FormulaC22H46OSi
Molecular Weight354.70 g/mol
Exact Mass354.33
IUPAC Namecyclohexyl-dimethyl-tetradecan-4-yloxysilane
SMILESCCCCCCCCCCC(CCC)O[Si](C)(C)C1CCCCC1
InChIInChI=1S/C22H46OSi/c1-5-7-8-9-10-11-12-14-18-21(17-6-2)23-24(3,4)22-19-15-13-16-20-22/h21-22H,5-20H2,1-4H3
InChIKeyRLIKZSRPQIFEFD-UHFFFAOYSA-N
XLogP8.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.70
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dimethyl-tetradecan-4-yloxysilane?
The IUPAC name of cyclohexyl-dimethyl-tetradecan-4-yloxysilane (CID 554902) is cyclohexyl-dimethyl-tetradecan-4-yloxysilane.
What is the SMILES notation for cyclohexyl-dimethyl-tetradecan-4-yloxysilane?
The canonical SMILES for cyclohexyl-dimethyl-tetradecan-4-yloxysilane is CCCCCCCCCCC(CCC)O[Si](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-tetradecan-4-yloxysilane?
The InChIKey is RLIKZSRPQIFEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46OSi/c1-5-7-8-9-10-11-12-14-18-21(17-6-2)23-24(3,4)22-19-15-13-16-20-22/h21-22H,5-20H2,1-4H3.
What are the key properties of cyclohexyl-dimethyl-tetradecan-4-yloxysilane?
cyclohexyl-dimethyl-tetradecan-4-yloxysilane has a molecular weight of 354.70 g/mol, XLogP of 8.24, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-tetradecan-4-yloxysilane is sourced from PubChem (CID 554902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).