tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane

C20H42O2Si — CID 71812435

IUPACtert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C[C@H](OC)[C@H](C)CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-10-12-13-15-17(3)19(21-7)16-18(14-11-2)22-23(8,9)20(4,5)6/h11,17-19H,2,10,12-16H2,1,3-9H3/t17-,18-,19+/m1/s1
InChIKeyDJPZAUSMXHXSKX-QRVBRYPASA-N
MW342.64 g/mol
LogP6.57
Rot. Bonds12

About tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane

tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane (PubChem CID 71812435) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane
PubChem CID71812435
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Nametert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C[C@H](OC)[C@H](C)CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-10-12-13-15-17(3)19(21-7)16-18(14-11-2)22-23(8,9)20(4,5)6/h11,17-19H,2,10,12-16H2,1,3-9H3/t17-,18-,19+/m1/s1
InChIKeyDJPZAUSMXHXSKX-QRVBRYPASA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane (CID 71812435) is tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane is C=CC[C@H](C[C@H](OC)[C@H](C)CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane?
The InChIKey is DJPZAUSMXHXSKX-QRVBRYPASA-N. The full InChI is InChI=1S/C20H42O2Si/c1-10-12-13-15-17(3)19(21-7)16-18(14-11-2)22-23(8,9)20(4,5)6/h11,17-19H,2,10,12-16H2,1,3-9H3/t17-,18-,19+/m1/s1.
What are the key properties of tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane?
tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 342.64 g/mol, XLogP of 6.57, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,6S,7R)-6-methoxy-7-methyldodec-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 71812435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).