[(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane

C23H46OSi — CID 10761443

IUPAC[(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@@H](C)[C@]1(C)C=CCCC1
InChIInChI=1S/C23H46OSi/c1-9-25(10-2,11-3)24-22(6,7)17-15-16-20(4)21(5)23(8)18-13-12-14-19-23/h13,18,20-21H,9-12,14-17,19H2,1-8H3/t20-,21-,23-/m1/s1
InChIKeyUEIXASSJWCSXEQ-MQSCRBSSSA-N
MW366.71 g/mol
LogP7.98
Rot. Bonds11

About [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane

[(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane (PubChem CID 10761443) has the molecular formula C23H46OSi and a molecular weight of 366.71 g/mol. Its IUPAC name is [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane
PubChem CID10761443
Molecular FormulaC23H46OSi
Molecular Weight366.71 g/mol
Exact Mass366.33
IUPAC Name[(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@@H](C)[C@]1(C)C=CCCC1
InChIInChI=1S/C23H46OSi/c1-9-25(10-2,11-3)24-22(6,7)17-15-16-20(4)21(5)23(8)18-13-12-14-19-23/h13,18,20-21H,9-12,14-17,19H2,1-8H3/t20-,21-,23-/m1/s1
InChIKeyUEIXASSJWCSXEQ-MQSCRBSSSA-N
XLogP7.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.71
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane?
The IUPAC name of [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane (CID 10761443) is [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane?
The canonical SMILES for [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@@H](C)[C@]1(C)C=CCCC1.
What is the InChIKey of [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane?
The InChIKey is UEIXASSJWCSXEQ-MQSCRBSSSA-N. The full InChI is InChI=1S/C23H46OSi/c1-9-25(10-2,11-3)24-22(6,7)17-15-16-20(4)21(5)23(8)18-13-12-14-19-23/h13,18,20-21H,9-12,14-17,19H2,1-8H3/t20-,21-,23-/m1/s1.
What are the key properties of [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane?
[(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane has a molecular weight of 366.71 g/mol, XLogP of 7.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 10761443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).