3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid

C11H25NO3Si — CID 87451074

IUPAC3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
SMILESCN(CCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H25NO3Si/c1-11(2,3)16(5,6)15-9-7-8-12(4)10(13)14/h7-9H2,1-6H3,(H,13,14)
InChIKeyDHKNVAXRRUKUIQ-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.01
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid

3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid (PubChem CID 87451074) has the molecular formula C11H25NO3Si and a molecular weight of 247.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
PubChem CID87451074
Molecular FormulaC11H25NO3Si
Molecular Weight247.41 g/mol
Exact Mass247.16
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
SMILESCN(CCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H25NO3Si/c1-11(2,3)16(5,6)15-9-7-8-12(4)10(13)14/h7-9H2,1-6H3,(H,13,14)
InChIKeyDHKNVAXRRUKUIQ-UHFFFAOYSA-N
XLogP3.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
CID 155738458
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid (CID 87451074) is 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid is CN(CCCO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid?
The InChIKey is DHKNVAXRRUKUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3Si/c1-11(2,3)16(5,6)15-9-7-8-12(4)10(13)14/h7-9H2,1-6H3,(H,13,14).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid?
3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid has a molecular weight of 247.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid is sourced from PubChem (CID 87451074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).