1-cyclopentyl-6-triethoxysilylhexan-2-one

C17H34O4Si — CID 58501672

IUPAC1-cyclopentyl-6-triethoxysilylhexan-2-one
SMILESCCO[Si](CCCCC(=O)CC1CCCC1)(OCC)OCC
InChIInChI=1S/C17H34O4Si/c1-4-19-22(20-5-2,21-6-3)14-10-9-13-17(18)15-16-11-7-8-12-16/h16H,4-15H2,1-3H3
InChIKeyVUSWZUMVQMGHAT-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.35
Rot. Bonds13

About 1-cyclopentyl-6-triethoxysilylhexan-2-one

1-cyclopentyl-6-triethoxysilylhexan-2-one (PubChem CID 58501672) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 1-cyclopentyl-6-triethoxysilylhexan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-6-triethoxysilylhexan-2-one
PubChem CID58501672
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name1-cyclopentyl-6-triethoxysilylhexan-2-one
SMILESCCO[Si](CCCCC(=O)CC1CCCC1)(OCC)OCC
InChIInChI=1S/C17H34O4Si/c1-4-19-22(20-5-2,21-6-3)14-10-9-13-17(18)15-16-11-7-8-12-16/h16H,4-15H2,1-3H3
InChIKeyVUSWZUMVQMGHAT-UHFFFAOYSA-N
XLogP4.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Triethoxysilylpropyl)cyclopentane-1,3-dione
CID 21363204
2-(1-Trimethoxysilylethyl)cyclopentan-1-one
CID 54297467
1-Cyclopentyl-7-triethoxysilylheptan-2-one
CID 58501670
1,13-Bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one
CID 87593225
4,6-Diethyl-4,6-bis(triethoxysilyl)nonan-5-one
CID 87593228
4,6-Diethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593230
1,9-Bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one
CID 87593246
1,9-Bis[dimethoxy(methyl)silyl]-4,6-dimethylnonan-5-one
CID 87593353
1,11-Bis[dimethoxy(methyl)silyl]-5,7-diethylundecan-6-one
CID 87593394
1,17-Bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
1,19-Bis[dimethoxy(methyl)silyl]-9,11-dimethylnonadecan-10-one
CID 87593483
7,9-Diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one
CID 87593608

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-triethoxysilylhexan-2-one?
The IUPAC name of 1-cyclopentyl-6-triethoxysilylhexan-2-one (CID 58501672) is 1-cyclopentyl-6-triethoxysilylhexan-2-one.
What is the SMILES notation for 1-cyclopentyl-6-triethoxysilylhexan-2-one?
The canonical SMILES for 1-cyclopentyl-6-triethoxysilylhexan-2-one is CCO[Si](CCCCC(=O)CC1CCCC1)(OCC)OCC.
What is the InChIKey of 1-cyclopentyl-6-triethoxysilylhexan-2-one?
The InChIKey is VUSWZUMVQMGHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-4-19-22(20-5-2,21-6-3)14-10-9-13-17(18)15-16-11-7-8-12-16/h16H,4-15H2,1-3H3.
What are the key properties of 1-cyclopentyl-6-triethoxysilylhexan-2-one?
1-cyclopentyl-6-triethoxysilylhexan-2-one has a molecular weight of 330.54 g/mol, XLogP of 4.35, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-triethoxysilylhexan-2-one is sourced from PubChem (CID 58501672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).