tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate

C30H53NO5Si — CID 134832514

IUPACtert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate
SMILESCC(C)[Si](OC[C@H]1CCC(CCCNC(=O)OC(C)(C)C)C(OCc2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C30H53NO5Si/c1-22(2)37(23(3)4,24(5)6)34-21-27-18-17-26(16-13-19-31-29(32)36-30(7,8)9)28(35-27)33-20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-28H,13,16-21H2,1-9H3,(H,31,32)/t26?,27-,28?/m1/s1
InChIKeyQWXYSMBWLKXBTB-QBYNGQAISA-N
MW535.84 g/mol
LogP7.82
Rot. Bonds13

About tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate

tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate (PubChem CID 134832514) has the molecular formula C30H53NO5Si and a molecular weight of 535.84 g/mol. Its IUPAC name is tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate
PubChem CID134832514
Molecular FormulaC30H53NO5Si
Molecular Weight535.84 g/mol
Exact Mass535.37
IUPAC Nametert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate
SMILESCC(C)[Si](OC[C@H]1CCC(CCCNC(=O)OC(C)(C)C)C(OCc2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C30H53NO5Si/c1-22(2)37(23(3)4,24(5)6)34-21-27-18-17-26(16-13-19-31-29(32)36-30(7,8)9)28(35-27)33-20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-28H,13,16-21H2,1-9H3,(H,31,32)/t26?,27-,28?/m1/s1
InChIKeyQWXYSMBWLKXBTB-QBYNGQAISA-N
XLogP7.82
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.84
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(E,2S,3R)-3-fluoro-1-[(2R,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]carbamate
CID 58123231
tert-butyl N-[(2S,3R)-3-fluoro-1-[(2R,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxypent-4-en-2-yl]carbamate
CID 58123235
tert-butyl N-[(E,2S,3R)-3-fluoro-1-[(2S,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]carbamate
CID 68105277
tert-butyl N-[(2S,3R)-3-fluoro-1-[(2S,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxypent-4-en-2-yl]carbamate
CID 68105279
TBDMS(-6)GlcNAc3Ac4F(a)-O-Bn
CID 162454419
benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate
CID 10939048
benzyl N-[(4R,5S,6S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6-[(E)-prop-1-enyl]-1,3-dioxan-5-yl]carbamate
CID 60194958
benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate
CID 85232064
CbzNH(-2d)Hex3Ac4Ac6Ac-O-TBDMS
CID 135018750
CbzNH(-2d)Hex-O-TBDMS
CID 135018811
benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate
CID 146164140
tert-butyl N-[[(3aS,4R,7R,7aR)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]methyl]carbamate
CID 11188551

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate (CID 134832514) is tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate is CC(C)[Si](OC[C@H]1CCC(CCCNC(=O)OC(C)(C)C)C(OCc2ccccc2)O1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate?
The InChIKey is QWXYSMBWLKXBTB-QBYNGQAISA-N. The full InChI is InChI=1S/C30H53NO5Si/c1-22(2)37(23(3)4,24(5)6)34-21-27-18-17-26(16-13-19-31-29(32)36-30(7,8)9)28(35-27)33-20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-28H,13,16-21H2,1-9H3,(H,31,32)/t26?,27-,28?/m1/s1.
What are the key properties of tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate?
tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate has a molecular weight of 535.84 g/mol, XLogP of 7.82, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(6R)-2-phenylmethoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]propyl]carbamate is sourced from PubChem (CID 134832514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).