tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C20H32O2Si — CID 67814830

IUPACtert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOC1(c2cccc3c2CCC3O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C20H32O2Si/c1-19(2,3)23(5,6)22-18-12-11-15-16(18)9-7-10-17(15)20(21-4)13-8-14-20/h7,9-10,18H,8,11-14H2,1-6H3
InChIKeyKKQJKQKCNFHMKD-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.72
Rot. Bonds4

About tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 67814830) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID67814830
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Nametert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOC1(c2cccc3c2CCC3O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C20H32O2Si/c1-19(2,3)23(5,6)22-18-12-11-15-16(18)9-7-10-17(15)20(21-4)13-8-14-20/h7,9-10,18H,8,11-14H2,1-6H3
InChIKeyKKQJKQKCNFHMKD-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 67814830) is tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is COC1(c2cccc3c2CCC3O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is KKQJKQKCNFHMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-19(2,3)23(5,6)22-18-12-11-15-16(18)9-7-10-17(15)20(21-4)13-8-14-20/h7,9-10,18H,8,11-14H2,1-6H3.
What are the key properties of tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 332.56 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 67814830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).