6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid

C16H33NO7Si — CID 58205270

IUPAC6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
SMILESCCO[Si](CCCNC(=O)OCCCCCC(=O)O)(OCC)OCC
InChIInChI=1S/C16H33NO7Si/c1-4-22-25(23-5-2,24-6-3)14-10-12-17-16(20)21-13-9-7-8-11-15(18)19/h4-14H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPFQUQDCYZJGZHO-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.80
Rot. Bonds16

About 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid

6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid (PubChem CID 58205270) has the molecular formula C16H33NO7Si and a molecular weight of 379.53 g/mol. Its IUPAC name is 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid.

Molecular Properties

Compound Name6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
PubChem CID58205270
Molecular FormulaC16H33NO7Si
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
SMILESCCO[Si](CCCNC(=O)OCCCCCC(=O)O)(OCC)OCC
InChIInChI=1S/C16H33NO7Si/c1-4-22-25(23-5-2,24-6-3)14-10-12-17-16(20)21-13-9-7-8-11-15(18)19/h4-14H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPFQUQDCYZJGZHO-UHFFFAOYSA-N
XLogP2.80
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid?
The IUPAC name of 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid (CID 58205270) is 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid.
What is the SMILES notation for 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid?
The canonical SMILES for 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid is CCO[Si](CCCNC(=O)OCCCCCC(=O)O)(OCC)OCC.
What is the InChIKey of 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid?
The InChIKey is PFQUQDCYZJGZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO7Si/c1-4-22-25(23-5-2,24-6-3)14-10-12-17-16(20)21-13-9-7-8-11-15(18)19/h4-14H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid?
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid has a molecular weight of 379.53 g/mol, XLogP of 2.80, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid is sourced from PubChem (CID 58205270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).