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

C22H40O2Si — CID 22848926

IUPACtert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCCC/C=C/C=C/C=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/b12-11+,14-13+,19-15+/t18-,20-,21+/m1/s1
InChIKeyJTYPRSVHOACWHV-ARJLKYNZSA-N
MW364.65 g/mol
LogP6.66
Rot. Bonds7

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

tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 22848926) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID22848926
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Nametert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCCC/C=C/C=C/C=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/b12-11+,14-13+,19-15+/t18-,20-,21+/m1/s1
InChIKeyJTYPRSVHOACWHV-ARJLKYNZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane (CID 22848926) is tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane is CCC/C=C/C=C/C=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,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is JTYPRSVHOACWHV-ARJLKYNZSA-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/b12-11+,14-13+,19-15+/t18-,20-,21+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-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,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 22848926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).