[4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane

C20H37F3OSi — CID 134943749

IUPAC[4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane
SMILESCCCCC(=C=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(F)(F)F)CC
InChIInChI=1S/C20H37F3OSi/c1-9-11-12-18(10-2)13-19(20(21,22)23)14-24-25(15(3)4,16(5)6)17(7)8/h15-17H,9-12,14H2,1-8H3
InChIKeyCCWPCYREZUOXDC-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.79
Rot. Bonds10

About [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane

[4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane (PubChem CID 134943749) has the molecular formula C20H37F3OSi and a molecular weight of 378.60 g/mol. Its IUPAC name is [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane
PubChem CID134943749
Molecular FormulaC20H37F3OSi
Molecular Weight378.60 g/mol
Exact Mass378.26
IUPAC Name[4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane
SMILESCCCCC(=C=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(F)(F)F)CC
InChIInChI=1S/C20H37F3OSi/c1-9-11-12-18(10-2)13-19(20(21,22)23)14-24-25(15(3)4,16(5)6)17(7)8/h15-17H,9-12,14H2,1-8H3
InChIKeyCCWPCYREZUOXDC-UHFFFAOYSA-N
XLogP7.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.79
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 [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane (CID 134943749) is [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane is CCCCC(=C=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(F)(F)F)CC.
What is the InChIKey of [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is CCWPCYREZUOXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F3OSi/c1-9-11-12-18(10-2)13-19(20(21,22)23)14-24-25(15(3)4,16(5)6)17(7)8/h15-17H,9-12,14H2,1-8H3.
What are the key properties of [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane?
[4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 378.60 g/mol, XLogP of 7.79, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(trifluoromethyl)octa-2,3-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134943749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).