4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one

C17H30O4Si — CID 11461565

IUPAC4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one
SMILESC=C(CCCC1C=CC(=O)CC1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H30O4Si/c1-5-19-22(20-6-2,21-7-3)15(4)9-8-10-16-11-13-17(18)14-12-16/h11,13,16H,4-10,12,14H2,1-3H3
InChIKeyHAJUJKRLXCHBHH-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.84
Rot. Bonds11

About 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one

4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one (PubChem CID 11461565) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one
PubChem CID11461565
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one
SMILESC=C(CCCC1C=CC(=O)CC1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H30O4Si/c1-5-19-22(20-6-2,21-7-3)15(4)9-8-10-16-11-13-17(18)14-12-16/h11,13,16H,4-10,12,14H2,1-3H3
InChIKeyHAJUJKRLXCHBHH-UHFFFAOYSA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one?
The IUPAC name of 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one (CID 11461565) is 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one?
The canonical SMILES for 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one is C=C(CCCC1C=CC(=O)CC1)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one?
The InChIKey is HAJUJKRLXCHBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-5-19-22(20-6-2,21-7-3)15(4)9-8-10-16-11-13-17(18)14-12-16/h11,13,16H,4-10,12,14H2,1-3H3.
What are the key properties of 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one?
4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one has a molecular weight of 326.51 g/mol, XLogP of 3.84, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-triethoxysilylpent-4-enyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11461565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).