[(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane

C21H42OSi3 — CID 13449013

IUPAC[(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane
SMILESCC(C)(C)/[Si](=C(\O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C21H42OSi3/c1-20(2,3)23(25(7,8)9)19(22-24(4,5)6)21-13-16-10-17(14-21)12-18(11-16)15-21/h16-18H,10-15H2,1-9H3/b23-19+
InChIKeyTZUAMSZSFLMTCF-FCDQGJHFSA-N
MW394.82 g/mol
LogP6.48
Rot. Bonds4

About [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane

[(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane (PubChem CID 13449013) has the molecular formula C21H42OSi3 and a molecular weight of 394.82 g/mol. Its IUPAC name is [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane
PubChem CID13449013
Molecular FormulaC21H42OSi3
Molecular Weight394.82 g/mol
Exact Mass394.25
IUPAC Name[(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane
SMILESCC(C)(C)/[Si](=C(\O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C21H42OSi3/c1-20(2,3)23(25(7,8)9)19(22-24(4,5)6)21-13-16-10-17(14-21)12-18(11-16)15-21/h16-18H,10-15H2,1-9H3/b23-19+
InChIKeyTZUAMSZSFLMTCF-FCDQGJHFSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.82
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane?
The IUPAC name of [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane (CID 13449013) is [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane.
What is the SMILES notation for [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane?
The canonical SMILES for [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane is CC(C)(C)/[Si](=C(\O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C.
What is the InChIKey of [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane?
The InChIKey is TZUAMSZSFLMTCF-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H42OSi3/c1-20(2,3)23(25(7,8)9)19(22-24(4,5)6)21-13-16-10-17(14-21)12-18(11-16)15-21/h16-18H,10-15H2,1-9H3/b23-19+.
What are the key properties of [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane?
[(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane has a molecular weight of 394.82 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-adamantyl-[tert-butyl(trimethylsilyl)silylidene]methoxy]-trimethylsilane is sourced from PubChem (CID 13449013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).