[cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol

C22H38NOSi+ — CID 10051146

IUPAC[cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol
SMILESC[N+]1(CC[Si@@](CO)(c2ccccc2)C2CCCCC2)CCCCCC1
InChIInChI=1S/C22H38NOSi/c1-23(16-10-2-3-11-17-23)18-19-25(20-24,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4,6-7,12-13,22,24H,2-3,5,8-11,14-20H2,1H3/q+1/t25-/m1/s1
InChIKeyFESIPJBYGOCEKW-RUZDIDTESA-N
MW360.64 g/mol
LogP4.23
Rot. Bonds6

About [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol

[cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol (PubChem CID 10051146) has the molecular formula C22H38NOSi+ and a molecular weight of 360.64 g/mol. Its IUPAC name is [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol.

Molecular Properties

Compound Name[cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol
PubChem CID10051146
Molecular FormulaC22H38NOSi+
Molecular Weight360.64 g/mol
Exact Mass360.27
IUPAC Name[cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol
SMILESC[N+]1(CC[Si@@](CO)(c2ccccc2)C2CCCCC2)CCCCCC1
InChIInChI=1S/C22H38NOSi/c1-23(16-10-2-3-11-17-23)18-19-25(20-24,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4,6-7,12-13,22,24H,2-3,5,8-11,14-20H2,1H3/q+1/t25-/m1/s1
InChIKeyFESIPJBYGOCEKW-RUZDIDTESA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol?
The IUPAC name of [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol (CID 10051146) is [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol.
What is the SMILES notation for [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol?
The canonical SMILES for [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol is C[N+]1(CC[Si@@](CO)(c2ccccc2)C2CCCCC2)CCCCCC1.
What is the InChIKey of [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol?
The InChIKey is FESIPJBYGOCEKW-RUZDIDTESA-N. The full InChI is InChI=1S/C22H38NOSi/c1-23(16-10-2-3-11-17-23)18-19-25(20-24,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4,6-7,12-13,22,24H,2-3,5,8-11,14-20H2,1H3/q+1/t25-/m1/s1.
What are the key properties of [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol?
[cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol has a molecular weight of 360.64 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol is sourced from PubChem (CID 10051146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).