[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane

C22H36OSi2 — CID 15430735

IUPAC[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane
SMILESC/C1=C(\[Si](C)(C)C)C2=C(COC2)/C([Si](C)(C)C)=C(/C)C2=C1CCCC2
InChIInChI=1S/C22H36OSi2/c1-15-17-11-9-10-12-18(17)16(2)22(25(6,7)8)20-14-23-13-19(20)21(15)24(3,4)5/h9-14H2,1-8H3/b17-15-,18-16-,21-15+,21-19+,22-16+,22-20+
InChIKeyZWZRTKCLGBWIAD-PMVISCKTSA-N
MW372.70 g/mol
LogP6.59
Rot. Bonds2

About [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane

[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane (PubChem CID 15430735) has the molecular formula C22H36OSi2 and a molecular weight of 372.70 g/mol. Its IUPAC name is [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane
PubChem CID15430735
Molecular FormulaC22H36OSi2
Molecular Weight372.70 g/mol
Exact Mass372.23
IUPAC Name[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane
SMILESC/C1=C(\[Si](C)(C)C)C2=C(COC2)/C([Si](C)(C)C)=C(/C)C2=C1CCCC2
InChIInChI=1S/C22H36OSi2/c1-15-17-11-9-10-12-18(17)16(2)22(25(6,7)8)20-14-23-13-19(20)21(15)24(3,4)5/h9-14H2,1-8H3/b17-15-,18-16-,21-15+,21-19+,22-16+,22-20+
InChIKeyZWZRTKCLGBWIAD-PMVISCKTSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane?
The IUPAC name of [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane (CID 15430735) is [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane.
What is the SMILES notation for [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane?
The canonical SMILES for [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane is C/C1=C(\[Si](C)(C)C)C2=C(COC2)/C([Si](C)(C)C)=C(/C)C2=C1CCCC2.
What is the InChIKey of [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane?
The InChIKey is ZWZRTKCLGBWIAD-PMVISCKTSA-N. The full InChI is InChI=1S/C22H36OSi2/c1-15-17-11-9-10-12-18(17)16(2)22(25(6,7)8)20-14-23-13-19(20)21(15)24(3,4)5/h9-14H2,1-8H3/b17-15-,18-16-,21-15+,21-19+,22-16+,22-20+.
What are the key properties of [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane?
[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane has a molecular weight of 372.70 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane is sourced from PubChem (CID 15430735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).