tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane

C15H28O2Si — CID 102183142

IUPACtert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane
SMILESC=CCO[C@H](C=C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-12-16-13(10-2)14(11-3)17-18(7,8)15(4,5)6/h9-11,13-14H,1-3,12H2,4-8H3/t13-,14-/m1/s1
InChIKeyXGLUVCQASSVUKL-ZIAGYGMSSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds8

About tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane

tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane (PubChem CID 102183142) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane
PubChem CID102183142
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane
SMILESC=CCO[C@H](C=C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-12-16-13(10-2)14(11-3)17-18(7,8)15(4,5)6/h9-11,13-14H,1-3,12H2,4-8H3/t13-,14-/m1/s1
InChIKeyXGLUVCQASSVUKL-ZIAGYGMSSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxy]silane
CID 10708071
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11160538
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 11323534
tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
CID 11551386
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
Tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
CID 72974056
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
trimethyl-[[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxy-bis(trimethylsilyl)silyl]silane
CID 134854197

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane (CID 102183142) is tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane is C=CCO[C@H](C=C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane?
The InChIKey is XGLUVCQASSVUKL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-9-12-16-13(10-2)14(11-3)17-18(7,8)15(4,5)6/h9-11,13-14H,1-3,12H2,4-8H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane has a molecular weight of 268.47 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane is sourced from PubChem (CID 102183142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).