tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate

C29H45NO6Si — CID 11432569

IUPACtert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
SMILESCOCOC(CCNC(=O)OC(C)(C)C)C(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H45NO6Si/c1-28(2,3)36-27(32)30-19-18-26(34-22-33-7)23(20-31)21-35-37(29(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,26,31H,18-22H2,1-7H3,(H,30,32)
InChIKeyIRQQURKHMKVWQT-UHFFFAOYSA-N
MW531.77 g/mol
LogP4.08
Rot. Bonds13

About tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate

tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate (PubChem CID 11432569) has the molecular formula C29H45NO6Si and a molecular weight of 531.77 g/mol. Its IUPAC name is tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
PubChem CID11432569
Molecular FormulaC29H45NO6Si
Molecular Weight531.77 g/mol
Exact Mass531.30
IUPAC Nametert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
SMILESCOCOC(CCNC(=O)OC(C)(C)C)C(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H45NO6Si/c1-28(2,3)36-27(32)30-19-18-26(34-22-33-7)23(20-31)21-35-37(29(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,26,31H,18-22H2,1-7H3,(H,30,32)
InChIKeyIRQQURKHMKVWQT-UHFFFAOYSA-N
XLogP4.08
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.77
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-iodo-3-methoxybutan-2-yl]carbamate
CID 175133439
tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate
CID 140879308
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
tert-butyl N-[(3R)-3-[(3aR,7aS)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]-4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate
CID 10507180
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate
CID 101358762
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ene-1-sulfonate
CID 23240416
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate (CID 11432569) is tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate is COCOC(CCNC(=O)OC(C)(C)C)C(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate?
The InChIKey is IRQQURKHMKVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45NO6Si/c1-28(2,3)36-27(32)30-19-18-26(34-22-33-7)23(20-31)21-35-37(29(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,26,31H,18-22H2,1-7H3,(H,30,32).
What are the key properties of tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate?
tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate has a molecular weight of 531.77 g/mol, XLogP of 4.08, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate is sourced from PubChem (CID 11432569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).