[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane

C14H24O3Si — CID 153307550

IUPAC[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)/C1=C/C=C\C=C/CC1
InChIInChI=1S/C14H24O3Si/c1-4-15-18(16-5-2,17-6-3)14-12-10-8-7-9-11-13-14/h7-10,12H,4-6,11,13H2,1-3H3/b9-7-,10-8-,14-12+
InChIKeyLIFJIYOBSSWRCS-ZTPPHAPOSA-N
MW268.43 g/mol
LogP3.41
Rot. Bonds7

About [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane

[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane (PubChem CID 153307550) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane.

Molecular Properties

Compound Name[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane
PubChem CID153307550
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)/C1=C/C=C\C=C/CC1
InChIInChI=1S/C14H24O3Si/c1-4-15-18(16-5-2,17-6-3)14-12-10-8-7-9-11-13-14/h7-10,12H,4-6,11,13H2,1-3H3/b9-7-,10-8-,14-12+
InChIKeyLIFJIYOBSSWRCS-ZTPPHAPOSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane?
The IUPAC name of [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane (CID 153307550) is [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane.
What is the SMILES notation for [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane?
The canonical SMILES for [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane is CCO[Si](OCC)(OCC)/C1=C/C=C\C=C/CC1.
What is the InChIKey of [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane?
The InChIKey is LIFJIYOBSSWRCS-ZTPPHAPOSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-4-15-18(16-5-2,17-6-3)14-12-10-8-7-9-11-13-14/h7-10,12H,4-6,11,13H2,1-3H3/b9-7-,10-8-,14-12+.
What are the key properties of [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane?
[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane has a molecular weight of 268.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane is sourced from PubChem (CID 153307550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).