tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane

C24H44OSi — CID 99772464

IUPACtert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCCC[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@H](C)C(CCC(=C)C)=C1C
InChIInChI=1S/C24H44OSi/c1-11-12-13-17-24(25-26(9,10)23(6,7)8)18-16-20(4)22(21(24)5)15-14-19(2)3/h11,20H,1-2,12-18H2,3-10H3/t20-,24-/m0/s1
InChIKeyIHJVCYKKCDPBPW-RDPSFJRHSA-N
MW376.70 g/mol
LogP8.21
Rot. Bonds9

About tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 99772464) has the molecular formula C24H44OSi and a molecular weight of 376.70 g/mol. Its IUPAC name is tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID99772464
Molecular FormulaC24H44OSi
Molecular Weight376.70 g/mol
Exact Mass376.32
IUPAC Nametert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCCC[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@H](C)C(CCC(=C)C)=C1C
InChIInChI=1S/C24H44OSi/c1-11-12-13-17-24(25-26(9,10)23(6,7)8)18-16-20(4)22(21(24)5)15-14-19(2)3/h11,20H,1-2,12-18H2,3-10H3/t20-,24-/m0/s1
InChIKeyIHJVCYKKCDPBPW-RDPSFJRHSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.70
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-But-3-enyl-1-bicyclo[5.1.0]oct-2-enyl)oxy-trimethylsilane
CID 11075903
[3-(Cyclohex-2-en-1-ylmethyl)-1-bicyclo[5.1.0]oct-2-enyl]oxy-trimethylsilane
CID 12118570
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
alpha-Bisabolol, TMS derivative
CID 14486055
Tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane
CID 10689513
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
[1-(Cyclohexen-1-yl)cyclopropyl]oxy-trimethylsilane
CID 13601452
Tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
CID 101011318
Tert-butyl-dimethyl-(3-prop-2-enylcyclohepten-1-yl)oxysilane
CID 101155880
Tert-butyl-[[6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475884
Tert-butyl-[(6-ethenylcyclohexen-1-yl)methoxy]-dimethylsilane
CID 102475885
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane (CID 99772464) is tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane is C=CCCC[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@H](C)C(CCC(=C)C)=C1C.
What is the InChIKey of tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is IHJVCYKKCDPBPW-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H44OSi/c1-11-12-13-17-24(25-26(9,10)23(6,7)8)18-16-20(4)22(21(24)5)15-14-19(2)3/h11,20H,1-2,12-18H2,3-10H3/t20-,24-/m0/s1.
What are the key properties of tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 376.70 g/mol, XLogP of 8.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,4S)-2,4-dimethyl-3-(3-methylbut-3-enyl)-1-pent-4-enylcyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 99772464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).