4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid

C10H23NO4Si — CID 87910081

IUPAC4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
SMILESCCN(CCCC[Si](C)(OC)OC)C(=O)O
InChIInChI=1S/C10H23NO4Si/c1-5-11(10(12)13)8-6-7-9-16(4,14-2)15-3/h5-9H2,1-4H3,(H,12,13)
InChIKeyVTXHJWHIYSSDJJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.13
Rot. Bonds8

About 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid

4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid (PubChem CID 87910081) has the molecular formula C10H23NO4Si and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid.

Molecular Properties

Compound Name4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
PubChem CID87910081
Molecular FormulaC10H23NO4Si
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
SMILESCCN(CCCC[Si](C)(OC)OC)C(=O)O
InChIInChI=1S/C10H23NO4Si/c1-5-11(10(12)13)8-6-7-9-16(4,14-2)15-3/h5-9H2,1-4H3,(H,12,13)
InChIKeyVTXHJWHIYSSDJJ-UHFFFAOYSA-N
XLogP2.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.13
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 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid?
The IUPAC name of 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid (CID 87910081) is 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid.
What is the SMILES notation for 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid?
The canonical SMILES for 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid is CCN(CCCC[Si](C)(OC)OC)C(=O)O.
What is the InChIKey of 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid?
The InChIKey is VTXHJWHIYSSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4Si/c1-5-11(10(12)13)8-6-7-9-16(4,14-2)15-3/h5-9H2,1-4H3,(H,12,13).
What are the key properties of 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid?
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid has a molecular weight of 249.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid is sourced from PubChem (CID 87910081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).