tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate

C35H73NO5Si2 — CID 101386007

IUPACtert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
SMILESCCCCCCCCCCCCCC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H73NO5Si2/c1-15-16-17-18-19-20-21-22-23-24-25-26-29(37)27-31(41-43(13,14)35(8,9)10)30(36-32(38)40-33(2,3)4)28-39-42(11,12)34(5,6)7/h30-31H,15-28H2,1-14H3,(H,36,38)/t30-,31-/m0/s1
InChIKeyDGYOOSXGBYHGKQ-CONSDPRKSA-N
MW644.14 g/mol
LogP10.95
Rot. Bonds21

About tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate (PubChem CID 101386007) has the molecular formula C35H73NO5Si2 and a molecular weight of 644.14 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
PubChem CID101386007
Molecular FormulaC35H73NO5Si2
Molecular Weight644.14 g/mol
Exact Mass643.50
IUPAC Nametert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
SMILESCCCCCCCCCCCCCC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H73NO5Si2/c1-15-16-17-18-19-20-21-22-23-24-25-26-29(37)27-31(41-43(13,14)35(8,9)10)30(36-32(38)40-33(2,3)4)28-39-42(11,12)34(5,6)7/h30-31H,15-28H2,1-14H3,(H,36,38)/t30-,31-/m0/s1
InChIKeyDGYOOSXGBYHGKQ-CONSDPRKSA-N
XLogP10.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.14
LogP ≤ 510.95
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-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 11752411
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxononan-2-yl]carbamate
CID 11523916
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
tert-butyl N-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpent-4-en-2-yl]carbamate
CID 10958910
tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
CID 91455667
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
tert-butyl N-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethoxy-1-(2-iodoethoxy)propan-2-yl]carbamate
CID 87647512
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(nitromethyl)pentanoic acid
CID 19691482
[(2R,3S,4S,5R)-4-acetyloxy-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl] acetate
CID 52920984
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one
CID 132991372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate (CID 101386007) is tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate is CCCCCCCCCCCCCC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate?
The InChIKey is DGYOOSXGBYHGKQ-CONSDPRKSA-N. The full InChI is InChI=1S/C35H73NO5Si2/c1-15-16-17-18-19-20-21-22-23-24-25-26-29(37)27-31(41-43(13,14)35(8,9)10)30(36-32(38)40-33(2,3)4)28-39-42(11,12)34(5,6)7/h30-31H,15-28H2,1-14H3,(H,36,38)/t30-,31-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate has a molecular weight of 644.14 g/mol, XLogP of 10.95, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate is sourced from PubChem (CID 101386007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).