(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol

C17H35NO3Si — CID 171548487

IUPAC(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC2(CC1)C[C@@H](O)[C@H](O)C2
InChIInChI=1S/C17H35NO3Si/c1-16(2,3)22(4,5)21-11-10-18-8-6-17(7-9-18)12-14(19)15(20)13-17/h14-15,19-20H,6-13H2,1-5H3/t14-,15-/m1/s1
InChIKeySYZZKIWMPZQVKR-HUUCEWRRSA-N
MW329.56 g/mol
LogP2.61
Rot. Bonds4

About (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol

(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol (PubChem CID 171548487) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol
PubChem CID171548487
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Name(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC2(CC1)C[C@@H](O)[C@H](O)C2
InChIInChI=1S/C17H35NO3Si/c1-16(2,3)22(4,5)21-11-10-18-8-6-17(7-9-18)12-14(19)15(20)13-17/h14-15,19-20H,6-13H2,1-5H3/t14-,15-/m1/s1
InChIKeySYZZKIWMPZQVKR-HUUCEWRRSA-N
XLogP2.61
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol?
The IUPAC name of (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol (CID 171548487) is (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol.
What is the SMILES notation for (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol?
The canonical SMILES for (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol is CC(C)(C)[Si](C)(C)OCCN1CCC2(CC1)C[C@@H](O)[C@H](O)C2.
What is the InChIKey of (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol?
The InChIKey is SYZZKIWMPZQVKR-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-16(2,3)22(4,5)21-11-10-18-8-6-17(7-9-18)12-14(19)15(20)13-17/h14-15,19-20H,6-13H2,1-5H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol?
(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol has a molecular weight of 329.56 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol is sourced from PubChem (CID 171548487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).