5-dimethoxysilylhexyl(ethyl)carbamic acid

C11H25NO4Si — CID 173191114

IUPAC5-dimethoxysilylhexyl(ethyl)carbamic acid
SMILESCCN(CCCCC(C)[SiH](OC)OC)C(=O)O
InChIInChI=1S/C11H25NO4Si/c1-5-12(11(13)14)9-7-6-8-10(2)17(15-3)16-4/h10,17H,5-9H2,1-4H3,(H,13,14)
InChIKeyHKQPALXTIDYHEY-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.06
Rot. Bonds9

About 5-dimethoxysilylhexyl(ethyl)carbamic acid

5-dimethoxysilylhexyl(ethyl)carbamic acid (PubChem CID 173191114) has the molecular formula C11H25NO4Si and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-dimethoxysilylhexyl(ethyl)carbamic acid.

Molecular Properties

Compound Name5-dimethoxysilylhexyl(ethyl)carbamic acid
PubChem CID173191114
Molecular FormulaC11H25NO4Si
Molecular Weight263.41 g/mol
Exact Mass263.16
IUPAC Name5-dimethoxysilylhexyl(ethyl)carbamic acid
SMILESCCN(CCCCC(C)[SiH](OC)OC)C(=O)O
InChIInChI=1S/C11H25NO4Si/c1-5-12(11(13)14)9-7-6-8-10(2)17(15-3)16-4/h10,17H,5-9H2,1-4H3,(H,13,14)
InChIKeyHKQPALXTIDYHEY-UHFFFAOYSA-N
XLogP2.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-dimethoxysilylhexyl(ethyl)carbamic acid?
The IUPAC name of 5-dimethoxysilylhexyl(ethyl)carbamic acid (CID 173191114) is 5-dimethoxysilylhexyl(ethyl)carbamic acid.
What is the SMILES notation for 5-dimethoxysilylhexyl(ethyl)carbamic acid?
The canonical SMILES for 5-dimethoxysilylhexyl(ethyl)carbamic acid is CCN(CCCCC(C)[SiH](OC)OC)C(=O)O.
What is the InChIKey of 5-dimethoxysilylhexyl(ethyl)carbamic acid?
The InChIKey is HKQPALXTIDYHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4Si/c1-5-12(11(13)14)9-7-6-8-10(2)17(15-3)16-4/h10,17H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 5-dimethoxysilylhexyl(ethyl)carbamic acid?
5-dimethoxysilylhexyl(ethyl)carbamic acid has a molecular weight of 263.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxysilylhexyl(ethyl)carbamic acid is sourced from PubChem (CID 173191114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).