[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid

C23H31NO5Si — CID 71183686

IUPAC[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid
SMILESC[C@H](CCN(C(=O)O)C(=O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO5Si/c1-18(15-16-24(21(25)26)22(27)28)17-29-30(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15-17H2,1-4H3,(H,25,26)(H,27,28)/t18-/m1/s1
InChIKeyMFTIPCINILPHIB-GOSISDBHSA-N
MW429.59 g/mol
LogP4.25
Rot. Bonds8

About [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid

[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid (PubChem CID 71183686) has the molecular formula C23H31NO5Si and a molecular weight of 429.59 g/mol. Its IUPAC name is [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid.

Molecular Properties

Compound Name[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid
PubChem CID71183686
Molecular FormulaC23H31NO5Si
Molecular Weight429.59 g/mol
Exact Mass429.20
IUPAC Name[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid
SMILESC[C@H](CCN(C(=O)O)C(=O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO5Si/c1-18(15-16-24(21(25)26)22(27)28)17-29-30(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15-17H2,1-4H3,(H,25,26)(H,27,28)/t18-/m1/s1
InChIKeyMFTIPCINILPHIB-GOSISDBHSA-N
XLogP4.25
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.25
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 [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid?
The IUPAC name of [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid (CID 71183686) is [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid.
What is the SMILES notation for [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid?
The canonical SMILES for [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid is C[C@H](CCN(C(=O)O)C(=O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid?
The InChIKey is MFTIPCINILPHIB-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31NO5Si/c1-18(15-16-24(21(25)26)22(27)28)17-29-30(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15-17H2,1-4H3,(H,25,26)(H,27,28)/t18-/m1/s1.
What are the key properties of [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid?
[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid has a molecular weight of 429.59 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid is sourced from PubChem (CID 71183686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).