tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate

C32H63NO3Si — CID 57382252

IUPACtert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate
SMILESCCCCCC[C@@H](CC[C@@H]1CCCC[C@]12CCCN2C(=O)OC(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H63NO3Si/c1-11-12-13-14-19-29(36-37(25(2)3,26(4)5)27(6)7)21-20-28-18-15-16-22-32(28)23-17-24-33(32)30(34)35-31(8,9)10/h25-29H,11-24H2,1-10H3/t28-,29-,32-/m0/s1
InChIKeyURYNQYWIICZWGK-OLWNVYNHSA-N
MW537.95 g/mol
LogP10.26
Rot. Bonds13

About tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate

tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 57382252) has the molecular formula C32H63NO3Si and a molecular weight of 537.95 g/mol. Its IUPAC name is tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate
PubChem CID57382252
Molecular FormulaC32H63NO3Si
Molecular Weight537.95 g/mol
Exact Mass537.46
IUPAC Nametert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate
SMILESCCCCCC[C@@H](CC[C@@H]1CCCC[C@]12CCCN2C(=O)OC(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H63NO3Si/c1-11-12-13-14-19-29(36-37(25(2)3,26(4)5)27(6)7)21-20-28-18-15-16-22-32(28)23-17-24-33(32)30(34)35-31(8,9)10/h25-29H,11-24H2,1-10H3/t28-,29-,32-/m0/s1
InChIKeyURYNQYWIICZWGK-OLWNVYNHSA-N
XLogP10.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.95
LogP ≤ 510.26
H-Bond Donors ≤ 50
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 tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate (CID 57382252) is tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate is CCCCCC[C@@H](CC[C@@H]1CCCC[C@]12CCCN2C(=O)OC(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is URYNQYWIICZWGK-OLWNVYNHSA-N. The full InChI is InChI=1S/C32H63NO3Si/c1-11-12-13-14-19-29(36-37(25(2)3,26(4)5)27(6)7)21-20-28-18-15-16-22-32(28)23-17-24-33(32)30(34)35-31(8,9)10/h25-29H,11-24H2,1-10H3/t28-,29-,32-/m0/s1.
What are the key properties of tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate?
tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 537.95 g/mol, XLogP of 10.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 57382252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).