tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane

C23H44O2Si — CID 11603326

IUPACtert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane
SMILESC=C/C=C\C(CCCCC)OCCC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-10-12-14-16-21(15-13-11-2)24-18-17-22(19-20(3)4)25-26(8,9)23(5,6)7/h11,13,15,19,21-22H,2,10,12,14,16-18H2,1,3-9H3/b15-13-
InChIKeyXRDUGDRPDRRLEN-SQFISAMPSA-N
MW380.69 g/mol
LogP7.44
Rot. Bonds13

About tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane

tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane (PubChem CID 11603326) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane
PubChem CID11603326
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Nametert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane
SMILESC=C/C=C\C(CCCCC)OCCC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-10-12-14-16-21(15-13-11-2)24-18-17-22(19-20(3)4)25-26(8,9)23(5,6)7/h11,13,15,19,21-22H,2,10,12,14,16-18H2,1,3-9H3/b15-13-
InChIKeyXRDUGDRPDRRLEN-SQFISAMPSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

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CID 101185879
tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
tert-butyl-[(Z)-4-methoxyoct-2-enoxy]-dimethylsilane
CID 11529167
tert-butyl-[[(1R,2S,5Z,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
CID 16007265
tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane
CID 16757120
tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
CID 50941199
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5Z)-6-methoxy-2,7-dimethylocta-1,5,7-trien-4-yl]oxyhept-6-enoxy]-dimethylsilane
CID 134939172
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
[(3E,5Z,7S)-5-bromo-7-methoxydodeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
CID 134942346
tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane
CID 135017274
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane (CID 11603326) is tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane is C=C/C=C\C(CCCCC)OCCC(C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane?
The InChIKey is XRDUGDRPDRRLEN-SQFISAMPSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-10-12-14-16-21(15-13-11-2)24-18-17-22(19-20(3)4)25-26(8,9)23(5,6)7/h11,13,15,19,21-22H,2,10,12,14,16-18H2,1,3-9H3/b15-13-.
What are the key properties of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane?
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane has a molecular weight of 380.69 g/mol, XLogP of 7.44, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11603326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).