4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione

C14H26O5Si — CID 21363204

IUPAC4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione
SMILESCCO[Si](CCCC1CC(=O)CC1=O)(OCC)OCC
InChIInChI=1S/C14H26O5Si/c1-4-17-20(18-5-2,19-6-3)9-7-8-12-10-13(15)11-14(12)16/h12H,4-11H2,1-3H3
InChIKeySRHNRWOXPKHSCP-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.36
Rot. Bonds10

About 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione

4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione (PubChem CID 21363204) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione
PubChem CID21363204
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione
SMILESCCO[Si](CCCC1CC(=O)CC1=O)(OCC)OCC
InChIInChI=1S/C14H26O5Si/c1-4-17-20(18-5-2,19-6-3)9-7-8-12-10-13(15)11-14(12)16/h12H,4-11H2,1-3H3
InChIKeySRHNRWOXPKHSCP-UHFFFAOYSA-N
XLogP2.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(1-Trimethoxysilylethyl)cyclopentan-1-one
CID 54297467
1-Cyclopentyl-7-triethoxysilylheptan-2-one
CID 58501670
1-Cyclopentyl-6-triethoxysilylhexan-2-one
CID 58501672
3-(2-Trimethoxysilylethyl)cyclohexan-1-one
CID 58813393
6-(3-Triethoxysilylpropyl)undecane-5,7-dione
CID 89901525
4-(3-Trimethoxysilylpropyl)cyclohexan-1-one
CID 139978017
3-(2-Triethoxysilylethyl)cyclohexan-1-one
CID 140154334
4-(2-Triethoxysilylethyl)cyclohexan-1-one
CID 140356378
3-(1-Trimethoxysilylethyl)cyclohexan-1-one
CID 140375194
4-(3-Triethoxysilylpropyl)cyclohexan-1-one
CID 140457910
5-Methyl-4-triethoxysilylnonan-3-one
CID 173675498
2-(3-Trimethoxysilylpropyl)cyclohexan-1-one
CID 175023209

Frequently Asked Questions

What is the IUPAC name of 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione?
The IUPAC name of 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione (CID 21363204) is 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione.
What is the SMILES notation for 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione?
The canonical SMILES for 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione is CCO[Si](CCCC1CC(=O)CC1=O)(OCC)OCC.
What is the InChIKey of 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione?
The InChIKey is SRHNRWOXPKHSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-4-17-20(18-5-2,19-6-3)9-7-8-12-10-13(15)11-14(12)16/h12H,4-11H2,1-3H3.
What are the key properties of 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione?
4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione has a molecular weight of 302.44 g/mol, XLogP of 2.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-triethoxysilylpropyl)cyclopentane-1,3-dione is sourced from PubChem (CID 21363204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).