tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane

C21H42O2Si2 — CID 117070483

IUPACtert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane
SMILESCC1=C(O[Si](C)(C)C)C=CC(C(CO[Si](C)(C)C(C)(C)C)C(C)C)C1
InChIInChI=1S/C21H42O2Si2/c1-16(2)19(15-22-25(10,11)21(4,5)6)18-12-13-20(17(3)14-18)23-24(7,8)9/h12-13,16,18-19H,14-15H2,1-11H3
InChIKeyMPHFIACFTOJSII-UHFFFAOYSA-N
MW382.74 g/mol
LogP6.98
Rot. Bonds7

About tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane

tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane (PubChem CID 117070483) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane
PubChem CID117070483
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane
SMILESCC1=C(O[Si](C)(C)C)C=CC(C(CO[Si](C)(C)C(C)(C)C)C(C)C)C1
InChIInChI=1S/C21H42O2Si2/c1-16(2)19(15-22-25(10,11)21(4,5)6)18-12-13-20(17(3)14-18)23-24(7,8)9/h12-13,16,18-19H,14-15H2,1-11H3
InChIKeyMPHFIACFTOJSII-UHFFFAOYSA-N
XLogP6.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 56.98
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-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane (CID 117070483) is tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane is CC1=C(O[Si](C)(C)C)C=CC(C(CO[Si](C)(C)C(C)(C)C)C(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane?
The InChIKey is MPHFIACFTOJSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-16(2)19(15-22-25(10,11)21(4,5)6)18-12-13-20(17(3)14-18)23-24(7,8)9/h12-13,16,18-19H,14-15H2,1-11H3.
What are the key properties of tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane?
tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane has a molecular weight of 382.74 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-methyl-2-(5-methyl-4-trimethylsilyloxycyclohexa-2,4-dien-1-yl)butoxy]silane is sourced from PubChem (CID 117070483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).