tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane

C22H40O2Si — CID 57086607

IUPACtert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCCCC=CC=CC=C(C)[C@@H]1OC[C@@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O2Si/c1-9-10-11-12-13-14-15-19(3)21-20(16-18(2)17-23-21)24-25(7,8)22(4,5)6/h11-15,18,20-21H,9-10,16-17H2,1-8H3/t18-,20+,21-/m0/s1
InChIKeyJTYPRSVHOACWHV-TYPHKJRUSA-N
MW364.65 g/mol
LogP6.66
Rot. Bonds7

About tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 57086607) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID57086607
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Nametert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCCCC=CC=CC=C(C)[C@@H]1OC[C@@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O2Si/c1-9-10-11-12-13-14-15-19(3)21-20(16-18(2)17-23-21)24-25(7,8)22(4,5)6/h11-15,18,20-21H,9-10,16-17H2,1-8H3/t18-,20+,21-/m0/s1
InChIKeyJTYPRSVHOACWHV-TYPHKJRUSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.66
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-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane 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-[(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
(1r,5r,6s)-2,6-Dimethyl-6-triethylsiloxy-8-oxabicyclo[3.3.1]non-2-ene
CID 129744327
(1r,5r,6r)-2,6-Dimethyl-6-triethylsiloxy-8-oxa-bicyclo[3.3.1]non-2-ene
CID 129744733
[(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-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane
CID 134957306
(E)-3-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]but-2-enal
CID 11809622
(E)-3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]but-2-enal
CID 22848920
(E)-3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]but-2-enenitrile
CID 22848921
(E)-3-[(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]but-2-enenitrile
CID 22848922
tert-butyl-dimethyl-[(2S,3R,5R)-5-methyl-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxan-3-yl]oxysilane
CID 22848925

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane (CID 57086607) is tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane is CCCC=CC=CC=C(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-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is JTYPRSVHOACWHV-TYPHKJRUSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-9-10-11-12-13-14-15-19(3)21-20(16-18(2)17-23-21)24-25(7,8)22(4,5)6/h11-15,18,20-21H,9-10,16-17H2,1-8H3/t18-,20+,21-/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 364.65 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 57086607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).