tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate

C20H39NO4Si — CID 140753713

IUPACtert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
SMILESCC(C)[Si](O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C=O)(C(C)C)C(C)C
InChIInChI=1S/C20H39NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-11-17(10-16(18)12-22)21-19(23)24-20(7,8)9/h12-18H,10-11H2,1-9H3,(H,21,23)/t16-,17-,18+/m1/s1
InChIKeyPLAJEDFSFFWAJL-KURKYZTESA-N
MW385.62 g/mol
LogP5.05
Rot. Bonds7

About tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate

tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate (PubChem CID 140753713) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
PubChem CID140753713
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Nametert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
SMILESCC(C)[Si](O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C=O)(C(C)C)C(C)C
InChIInChI=1S/C20H39NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-11-17(10-16(18)12-22)21-19(23)24-20(7,8)9/h12-18H,10-11H2,1-9H3,(H,21,23)/t16-,17-,18+/m1/s1
InChIKeyPLAJEDFSFFWAJL-KURKYZTESA-N
XLogP5.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
CID 131745477
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
CID 123706193
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate
CID 165467173

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate (CID 140753713) is tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate is CC(C)[Si](O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C=O)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
The InChIKey is PLAJEDFSFFWAJL-KURKYZTESA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-11-17(10-16(18)12-22)21-19(23)24-20(7,8)9/h12-18H,10-11H2,1-9H3,(H,21,23)/t16-,17-,18+/m1/s1.
What are the key properties of tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate?
tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate has a molecular weight of 385.62 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate is sourced from PubChem (CID 140753713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).