tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid

C14H31NO4Si — CID 90010746

IUPACtert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(CC(O)CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H31NO4Si/c1-13(2,3)15(12(17)18)9-11(16)10-19-20(7,8)14(4,5)6/h11,16H,9-10H2,1-8H3,(H,17,18)
InChIKeyREFXQRXRHOELEO-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.15
Rot. Bonds5

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid (PubChem CID 90010746) has the molecular formula C14H31NO4Si and a molecular weight of 305.49 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
PubChem CID90010746
Molecular FormulaC14H31NO4Si
Molecular Weight305.49 g/mol
Exact Mass305.20
IUPAC Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(CC(O)CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H31NO4Si/c1-13(2,3)15(12(17)18)9-11(16)10-19-20(7,8)14(4,5)6/h11,16H,9-10H2,1-8H3,(H,17,18)
InChIKeyREFXQRXRHOELEO-UHFFFAOYSA-N
XLogP3.15
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid?
The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid (CID 90010746) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid?
The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid is CC(C)(C)N(CC(O)CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid?
The InChIKey is REFXQRXRHOELEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4Si/c1-13(2,3)15(12(17)18)9-11(16)10-19-20(7,8)14(4,5)6/h11,16H,9-10H2,1-8H3,(H,17,18).
What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid?
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid has a molecular weight of 305.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid is sourced from PubChem (CID 90010746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).