tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane

C24H44OSi — CID 16732481

IUPACtert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
SMILESCC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C(CC=C(C)C)C1
InChIInChI=1S/C24H44OSi/c1-18(2)12-14-20-16-21(15-13-19(3)4)24(8,9)17-22(20)25-26(10,11)23(5,6)7/h12-13,21H,14-17H2,1-11H3
InChIKeyIAZXILAAWAPNRK-UHFFFAOYSA-N
MW376.70 g/mol
LogP8.41
Rot. Bonds6

About tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 16732481) has the molecular formula C24H44OSi and a molecular weight of 376.70 g/mol. Its IUPAC name is tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
PubChem CID16732481
Molecular FormulaC24H44OSi
Molecular Weight376.70 g/mol
Exact Mass376.32
IUPAC Nametert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
SMILESCC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C(CC=C(C)C)C1
InChIInChI=1S/C24H44OSi/c1-18(2)12-14-20-16-21(15-13-19(3)4)24(8,9)17-22(20)25-26(10,11)23(5,6)7/h12-13,21H,14-17H2,1-11H3
InChIKeyIAZXILAAWAPNRK-UHFFFAOYSA-N
XLogP8.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.70
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane (CID 16732481) is tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane is CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C(CC=C(C)C)C1.
What is the InChIKey of tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is IAZXILAAWAPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44OSi/c1-18(2)12-14-20-16-21(15-13-19(3)4)24(8,9)17-22(20)25-26(10,11)23(5,6)7/h12-13,21H,14-17H2,1-11H3.
What are the key properties of tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 376.70 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 16732481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).