[(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane

C22H32OSi — CID 10831057

IUPAC[(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C#C/C=C2/CCCC=C2C#CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H32OSi/c1-21(2,3)24(6,7)23-20-15-14-19-12-9-8-11-18(19)13-10-16-22(4,5)17-20/h12-13,20H,8-9,11,17H2,1-7H3/b18-13-
InChIKeyWMEQHBWOGKCXCF-AQTBWJFISA-N
MW340.58 g/mol
LogP5.85
Rot. Bonds2

About [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane

[(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10831057) has the molecular formula C22H32OSi and a molecular weight of 340.58 g/mol. Its IUPAC name is [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10831057
Molecular FormulaC22H32OSi
Molecular Weight340.58 g/mol
Exact Mass340.22
IUPAC Name[(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C#C/C=C2/CCCC=C2C#CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H32OSi/c1-21(2,3)24(6,7)23-20-15-14-19-12-9-8-11-18(19)13-10-16-22(4,5)17-20/h12-13,20H,8-9,11,17H2,1-7H3/b18-13-
InChIKeyWMEQHBWOGKCXCF-AQTBWJFISA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane
CID 10808070
tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 11149799
tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane
CID 11849254
[(1S,2R)-2-but-3-enyl-2-ethynyl-3-methylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 56594956

Frequently Asked Questions

What is the IUPAC name of [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane (CID 10831057) is [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane is CC1(C)C#C/C=C2/CCCC=C2C#CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is WMEQHBWOGKCXCF-AQTBWJFISA-N. The full InChI is InChI=1S/C22H32OSi/c1-21(2,3)24(6,7)23-20-15-14-19-12-9-8-11-18(19)13-10-16-22(4,5)17-20/h12-13,20H,8-9,11,17H2,1-7H3/b18-13-.
What are the key properties of [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane?
[(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 340.58 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10831057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).