[4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane

C17H30OSi2 — CID 13159091

IUPAC[4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C(C23CC4CC(CC(C4)C2)C3)O[Si]1(C)C
InChIInChI=1S/C17H30OSi2/c1-19(2,3)16-15(18-20(16,4)5)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,6-11H2,1-5H3
InChIKeyQXCAPVARGZRQGZ-UHFFFAOYSA-N
MW306.60 g/mol
LogP5.11
Rot. Bonds2

About [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane

[4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane (PubChem CID 13159091) has the molecular formula C17H30OSi2 and a molecular weight of 306.60 g/mol. Its IUPAC name is [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane
PubChem CID13159091
Molecular FormulaC17H30OSi2
Molecular Weight306.60 g/mol
Exact Mass306.18
IUPAC Name[4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C(C23CC4CC(CC(C4)C2)C3)O[Si]1(C)C
InChIInChI=1S/C17H30OSi2/c1-19(2,3)16-15(18-20(16,4)5)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,6-11H2,1-5H3
InChIKeyQXCAPVARGZRQGZ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.60
LogP ≤ 55.11
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 [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane?
The IUPAC name of [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane (CID 13159091) is [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane.
What is the SMILES notation for [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane?
The canonical SMILES for [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane is C[Si](C)(C)C1=C(C23CC4CC(CC(C4)C2)C3)O[Si]1(C)C.
What is the InChIKey of [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane?
The InChIKey is QXCAPVARGZRQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi2/c1-19(2,3)16-15(18-20(16,4)5)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,6-11H2,1-5H3.
What are the key properties of [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane?
[4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane has a molecular weight of 306.60 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)-2,2-dimethyloxasilet-3-yl]-trimethylsilane is sourced from PubChem (CID 13159091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).