tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate

C27H39NO4Si — CID 142544419

IUPACtert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-21-17-18-22(30-19-21)20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3,(H,28,29)/t21-,22+/m1/s1
InChIKeyMVXNELCTPWWDTO-YADHBBJMSA-N
MW469.70 g/mol
LogP4.64
Rot. Bonds6

About tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate

tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate (PubChem CID 142544419) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
PubChem CID142544419
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-21-17-18-22(30-19-21)20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3,(H,28,29)/t21-,22+/m1/s1
InChIKeyMVXNELCTPWWDTO-YADHBBJMSA-N
XLogP4.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate
CID 164580567
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl 4-methylbenzenesulfonate
CID 87372698
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate
CID 11421579
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylidene-1,4-oxazepane-4-carboxylate
CID 164534961
tert-butyl N-[(5S,6S)-6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]carbamate
CID 177204753
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate (CID 142544419) is tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1.
What is the InChIKey of tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
The InChIKey is MVXNELCTPWWDTO-YADHBBJMSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-21-17-18-22(30-19-21)20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3,(H,28,29)/t21-,22+/m1/s1.
What are the key properties of tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate has a molecular weight of 469.70 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate is sourced from PubChem (CID 142544419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).