1-cyclopentyl-7-triethoxysilylheptan-2-one

C18H36O4Si — CID 58501670

IUPAC1-cyclopentyl-7-triethoxysilylheptan-2-one
SMILESCCO[Si](CCCCCC(=O)CC1CCCC1)(OCC)OCC
InChIInChI=1S/C18H36O4Si/c1-4-20-23(21-5-2,22-6-3)15-11-7-8-14-18(19)16-17-12-9-10-13-17/h17H,4-16H2,1-3H3
InChIKeyPATFIQBUNSRMDB-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.74
Rot. Bonds14

About 1-cyclopentyl-7-triethoxysilylheptan-2-one

1-cyclopentyl-7-triethoxysilylheptan-2-one (PubChem CID 58501670) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 1-cyclopentyl-7-triethoxysilylheptan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-7-triethoxysilylheptan-2-one
PubChem CID58501670
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name1-cyclopentyl-7-triethoxysilylheptan-2-one
SMILESCCO[Si](CCCCCC(=O)CC1CCCC1)(OCC)OCC
InChIInChI=1S/C18H36O4Si/c1-4-20-23(21-5-2,22-6-3)15-11-7-8-14-18(19)16-17-12-9-10-13-17/h17H,4-16H2,1-3H3
InChIKeyPATFIQBUNSRMDB-UHFFFAOYSA-N
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.74
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-6-triethoxysilylhexan-2-one
CID 58501672
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-7-triethoxysilylheptan-2-one?
The IUPAC name of 1-cyclopentyl-7-triethoxysilylheptan-2-one (CID 58501670) is 1-cyclopentyl-7-triethoxysilylheptan-2-one.
What is the SMILES notation for 1-cyclopentyl-7-triethoxysilylheptan-2-one?
The canonical SMILES for 1-cyclopentyl-7-triethoxysilylheptan-2-one is CCO[Si](CCCCCC(=O)CC1CCCC1)(OCC)OCC.
What is the InChIKey of 1-cyclopentyl-7-triethoxysilylheptan-2-one?
The InChIKey is PATFIQBUNSRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-4-20-23(21-5-2,22-6-3)15-11-7-8-14-18(19)16-17-12-9-10-13-17/h17H,4-16H2,1-3H3.
What are the key properties of 1-cyclopentyl-7-triethoxysilylheptan-2-one?
1-cyclopentyl-7-triethoxysilylheptan-2-one has a molecular weight of 344.57 g/mol, XLogP of 4.74, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-triethoxysilylheptan-2-one is sourced from PubChem (CID 58501670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).