4-trimethoxysilylbutylcarbamic acid

C8H19NO5Si — CID 18755644

IUPAC4-trimethoxysilylbutylcarbamic acid
SMILESCO[Si](CCCCNC(=O)O)(OC)OC
InChIInChI=1S/C8H19NO5Si/c1-12-15(13-2,14-3)7-5-4-6-9-8(10)11/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeyOVHYGTKBUFDHEP-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.91
Rot. Bonds8

About 4-trimethoxysilylbutylcarbamic acid

4-trimethoxysilylbutylcarbamic acid (PubChem CID 18755644) has the molecular formula C8H19NO5Si and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-trimethoxysilylbutylcarbamic acid.

Molecular Properties

Compound Name4-trimethoxysilylbutylcarbamic acid
PubChem CID18755644
Molecular FormulaC8H19NO5Si
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name4-trimethoxysilylbutylcarbamic acid
SMILESCO[Si](CCCCNC(=O)O)(OC)OC
InChIInChI=1S/C8H19NO5Si/c1-12-15(13-2,14-3)7-5-4-6-9-8(10)11/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeyOVHYGTKBUFDHEP-UHFFFAOYSA-N
XLogP0.91
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
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

6-trimethoxysilylhexylurea
CID 87148927
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
3-(10-trimethoxysilyldecylamino)propanoic acid
CID 151748787
3-(5-trimethoxysilylpentylamino)propanoic acid
CID 150405129
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
CID 140721019
4-trimethylsilyloxybutylcarbamic acid
CID 87814619
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
N-(6-aminohexyl)-3-trimethoxysilylpropanamide
CID 59561256
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726

Frequently Asked Questions

What is the IUPAC name of 4-trimethoxysilylbutylcarbamic acid?
The IUPAC name of 4-trimethoxysilylbutylcarbamic acid (CID 18755644) is 4-trimethoxysilylbutylcarbamic acid.
What is the SMILES notation for 4-trimethoxysilylbutylcarbamic acid?
The canonical SMILES for 4-trimethoxysilylbutylcarbamic acid is CO[Si](CCCCNC(=O)O)(OC)OC.
What is the InChIKey of 4-trimethoxysilylbutylcarbamic acid?
The InChIKey is OVHYGTKBUFDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5Si/c1-12-15(13-2,14-3)7-5-4-6-9-8(10)11/h9H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 4-trimethoxysilylbutylcarbamic acid?
4-trimethoxysilylbutylcarbamic acid has a molecular weight of 237.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylbutylcarbamic acid is sourced from PubChem (CID 18755644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).