tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane

C21H36OSi — CID 134983137

IUPACtert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane
SMILESC=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=C)/C=C\C1
InChIInChI=1S/C21H36OSi/c1-16(2)19-14-13-17(3)11-10-12-18(4)20(15-19)22-23(8,9)21(5,6)7/h10,12-14,16,19-20H,3-4,11,15H2,1-2,5-9H3/b12-10-,14-13+/t19-,20?/m0/s1
InChIKeyHLPDUABNRALOCW-AUMXREBGSA-N
MW332.60 g/mol
LogP6.67
Rot. Bonds3

About tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane

tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane (PubChem CID 134983137) has the molecular formula C21H36OSi and a molecular weight of 332.60 g/mol. Its IUPAC name is tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane
PubChem CID134983137
Molecular FormulaC21H36OSi
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Nametert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane
SMILESC=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=C)/C=C\C1
InChIInChI=1S/C21H36OSi/c1-16(2)19-14-13-17(3)11-10-12-18(4)20(15-19)22-23(8,9)21(5,6)7/h10,12-14,16,19-20H,3-4,11,15H2,1-2,5-9H3/b12-10-,14-13+/t19-,20?/m0/s1
InChIKeyHLPDUABNRALOCW-AUMXREBGSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
tert-butyl-dimethyl-[(7E)-7-methyl-3-methylidenedeca-1,7,9-trien-4-yl]oxysilane
CID 101616273
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134865706
triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
CID 134940845
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trien-1-ol
CID 135013443
tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 139263530
[(3aR,4S)-7-ethenyl-2,3,3a,4,5,6-hexahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane
CID 162406242

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane (CID 134983137) is tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane is C=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=C)/C=C\C1.
What is the InChIKey of tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane?
The InChIKey is HLPDUABNRALOCW-AUMXREBGSA-N. The full InChI is InChI=1S/C21H36OSi/c1-16(2)19-14-13-17(3)11-10-12-18(4)20(15-19)22-23(8,9)21(5,6)7/h10,12-14,16,19-20H,3-4,11,15H2,1-2,5-9H3/b12-10-,14-13+/t19-,20?/m0/s1.
What are the key properties of tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane has a molecular weight of 332.60 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134983137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).