tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane

C26H36OSi — CID 154066060

IUPACtert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC[C@H]1C=CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36OSi/c1-26(2,3)28(24-18-9-5-10-19-24,25-20-11-6-12-21-25)27-22-14-13-17-23-15-7-4-8-16-23/h5-7,9-12,15,18-21,23H,4,8,13-14,16-17,22H2,1-3H3/t23-/m0/s1
InChIKeyZKGRTOXEFKQMSN-QHCPKHFHSA-N
MW392.66 g/mol
LogP6.09
Rot. Bonds8

About tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane

tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane (PubChem CID 154066060) has the molecular formula C26H36OSi and a molecular weight of 392.66 g/mol. Its IUPAC name is tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane
PubChem CID154066060
Molecular FormulaC26H36OSi
Molecular Weight392.66 g/mol
Exact Mass392.25
IUPAC Nametert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC[C@H]1C=CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36OSi/c1-26(2,3)28(24-18-9-5-10-19-24,25-20-11-6-12-21-25)27-22-14-13-17-23-15-7-4-8-16-23/h5-7,9-12,15,18-21,23H,4,8,13-14,16-17,22H2,1-3H3/t23-/m0/s1
InChIKeyZKGRTOXEFKQMSN-QHCPKHFHSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.09
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane (CID 154066060) is tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane is CC(C)(C)[Si](OCCCC[C@H]1C=CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane?
The InChIKey is ZKGRTOXEFKQMSN-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H36OSi/c1-26(2,3)28(24-18-9-5-10-19-24,25-20-11-6-12-21-25)27-22-14-13-17-23-15-7-4-8-16-23/h5-7,9-12,15,18-21,23H,4,8,13-14,16-17,22H2,1-3H3/t23-/m0/s1.
What are the key properties of tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane?
tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane has a molecular weight of 392.66 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(1S)-cyclohex-2-en-1-yl]butoxy]-diphenylsilane is sourced from PubChem (CID 154066060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).