tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane

C21H38O2Si — CID 57061832

IUPACtert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane
SMILESCCCC=CC=CC=C[C@@H]1OC[C@@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-8-9-10-11-12-13-14-15-19-20(16-18(2)17-22-19)23-24(6,7)21(3,4)5/h10-15,18-20H,8-9,16-17H2,1-7H3/t18-,19-,20+/m0/s1
InChIKeyKVLFMSJXWFSWAE-SLFFLAALSA-N
MW350.62 g/mol
LogP6.27
Rot. Bonds7

About tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane

tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane (PubChem CID 57061832) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane
PubChem CID57061832
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Nametert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane
SMILESCCCC=CC=CC=C[C@@H]1OC[C@@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-8-9-10-11-12-13-14-15-19-20(16-18(2)17-22-19)23-24(6,7)21(3,4)5/h10-15,18-20H,8-9,16-17H2,1-7H3/t18-,19-,20+/m0/s1
InChIKeyKVLFMSJXWFSWAE-SLFFLAALSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(3S,4S,5R,6Z)-8-(2,2-difluorohept-6-enoxy)-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 89395602
tert-butyl-[(1R)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 11430609
[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 11794966
[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 134887512
tert-butyl-[[(5R,6S,7S,8E)-13,13-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
CID 154402222
[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
CID 11382298
tert-butyl-[(2S,3R,5S)-2-ethenyl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848918
tert-butyl-dimethyl-[(2S,3R,5R)-5-methyl-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxan-3-yl]oxysilane
CID 22848925
tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848926
tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxan-3-yl]oxysilane
CID 22848927
tert-butyl-[(2S,3R,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848928

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane (CID 57061832) is tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane is CCCC=CC=CC=C[C@@H]1OC[C@@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane?
The InChIKey is KVLFMSJXWFSWAE-SLFFLAALSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-8-9-10-11-12-13-14-15-19-20(16-18(2)17-22-19)23-24(6,7)21(3,4)5/h10-15,18-20H,8-9,16-17H2,1-7H3/t18-,19-,20+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane has a molecular weight of 350.62 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane is sourced from PubChem (CID 57061832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).