tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane

C24H44OSi — CID 16732642

IUPACtert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
SMILESCC(C)=CC[C@H]1CC=C(O[Si](C)(C)C(C)(C)C)[C@@H](CC=C(C)C)C1(C)C
InChIInChI=1S/C24H44OSi/c1-18(2)12-14-20-15-17-22(25-26(10,11)23(5,6)7)21(24(20,8)9)16-13-19(3)4/h12-13,17,20-21H,14-16H2,1-11H3/t20-,21+/m0/s1
InChIKeyFNLQBKUDBVWKAA-LEWJYISDSA-N
MW376.70 g/mol
LogP8.27
Rot. Bonds6

About tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 16732642) has the molecular formula C24H44OSi and a molecular weight of 376.70 g/mol. Its IUPAC name is tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
PubChem CID16732642
Molecular FormulaC24H44OSi
Molecular Weight376.70 g/mol
Exact Mass376.32
IUPAC Nametert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
SMILESCC(C)=CC[C@H]1CC=C(O[Si](C)(C)C(C)(C)C)[C@@H](CC=C(C)C)C1(C)C
InChIInChI=1S/C24H44OSi/c1-18(2)12-14-20-15-17-22(25-26(10,11)23(5,6)7)21(24(20,8)9)16-13-19(3)4/h12-13,17,20-21H,14-16H2,1-11H3/t20-,21+/m0/s1
InChIKeyFNLQBKUDBVWKAA-LEWJYISDSA-N
XLogP8.27
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 ≤ 58.27
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'}

Analyze tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane with MolForge

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Related Compounds

4-Tert-butyl-1-trimethylsilyloxy-1-cyclohexene
CID 10911276
[3-[2-(Cyclohexen-1-yl)ethyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21593729
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
alpha-Bisabolol, TMS derivative
CID 14486055
1-Cyclohexene, 4,4-dimethyl-1-[(trimethylsilyl)oxy]-
CID 581527
[(4R)-4-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 10633031
Silane, [[(4S)-4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]oxy]trimethyl-
CID 11042447
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
trimethyl-[(3R,4R)-3-methyl-3-[2-[(1S)-1-methylcyclohex-2-en-1-yl]ethyl]-4-propan-2-ylcyclopenten-1-yl]oxysilane
CID 11984323
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
(r)-((3-(But-3-en-1-yl)-3-methylcyclopent-1-en-1-yl)oxy)triethylsilane
CID 25112423
Trimethyl[(3,3,4-trimethylcyclohex-1-en-1-yl)oxy]silane
CID 71331557

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane (CID 16732642) is tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane is CC(C)=CC[C@H]1CC=C(O[Si](C)(C)C(C)(C)C)[C@@H](CC=C(C)C)C1(C)C.
What is the InChIKey of tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is FNLQBKUDBVWKAA-LEWJYISDSA-N. The full InChI is InChI=1S/C24H44OSi/c1-18(2)12-14-20-15-17-22(25-26(10,11)23(5,6)7)21(24(20,8)9)16-13-19(3)4/h12-13,17,20-21H,14-16H2,1-11H3/t20-,21+/m0/s1.
What are the key properties of tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 376.70 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 16732642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).