tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate

C20H37NO4Si — CID 10992613

IUPACtert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate
SMILESC=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO4Si/c1-10-11-17-16(21-18(22)25-19(2,3)4)13-12-15(24-17)14-23-26(8,9)20(5,6)7/h10,12-13,15-17H,1,11,14H2,2-9H3,(H,21,22)/t15-,16-,17+/m0/s1
InChIKeyTVXVHAHFBUAWJH-YESZJQIVSA-N
MW383.61 g/mol
LogP4.80
Rot. Bonds6

About tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate

tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate (PubChem CID 10992613) has the molecular formula C20H37NO4Si and a molecular weight of 383.61 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate
PubChem CID10992613
Molecular FormulaC20H37NO4Si
Molecular Weight383.61 g/mol
Exact Mass383.25
IUPAC Nametert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate
SMILESC=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO4Si/c1-10-11-17-16(21-18(22)25-19(2,3)4)13-12-15(24-17)14-23-26(8,9)20(5,6)7/h10,12-13,15-17H,1,11,14H2,2-9H3,(H,21,22)/t15-,16-,17+/m0/s1
InChIKeyTVXVHAHFBUAWJH-YESZJQIVSA-N
XLogP4.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate
CID 21362531
[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
CID 10936954
[(2R,3R,6S)-3-hydroxy-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 25170494
tert-butyl N-[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-prop-2-enoxypropan-2-yl]carbamate
CID 175984659
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
CID 74079206
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 58604476
benzyl N-[(1S,4R,5S,7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl]carbamate
CID 101133628
tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate
CID 100948093
tert-butyl N-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpent-4-en-2-yl]carbamate
CID 10958910

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate (CID 10992613) is tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate is C=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate?
The InChIKey is TVXVHAHFBUAWJH-YESZJQIVSA-N. The full InChI is InChI=1S/C20H37NO4Si/c1-10-11-17-16(21-18(22)25-19(2,3)4)13-12-15(24-17)14-23-26(8,9)20(5,6)7/h10,12-13,15-17H,1,11,14H2,2-9H3,(H,21,22)/t15-,16-,17+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate?
tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate has a molecular weight of 383.61 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate is sourced from PubChem (CID 10992613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).