[(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane

C30H43N3OSi — CID 102589572

IUPAC[(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1/C=C/[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C30H43N3OSi/c1-23(2)29-20-17-24(3)21-25(29)18-19-26(32-33-31)22-34-35(30(4,5)6,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,18-19,23-26,29H,17,20-22H2,1-6H3/b19-18+/t24-,25-,26-,29+/m1/s1
InChIKeyMUNOOICIFARKFR-OHITWQCFSA-N
MW489.78 g/mol
LogP7.51
Rot. Bonds9

About [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane

[(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane (PubChem CID 102589572) has the molecular formula C30H43N3OSi and a molecular weight of 489.78 g/mol. Its IUPAC name is [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane
PubChem CID102589572
Molecular FormulaC30H43N3OSi
Molecular Weight489.78 g/mol
Exact Mass489.32
IUPAC Name[(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1/C=C/[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C30H43N3OSi/c1-23(2)29-20-17-24(3)21-25(29)18-19-26(32-33-31)22-34-35(30(4,5)6,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,18-19,23-26,29H,17,20-22H2,1-6H3/b19-18+/t24-,25-,26-,29+/m1/s1
InChIKeyMUNOOICIFARKFR-OHITWQCFSA-N
XLogP7.51
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.78
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3,4-dimethyl-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]pent-1-en-3-yl]benzene
CID 177410240
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10252065
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768
[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
CID 101040416
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane (CID 102589572) is [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1/C=C/[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is MUNOOICIFARKFR-OHITWQCFSA-N. The full InChI is InChI=1S/C30H43N3OSi/c1-23(2)29-20-17-24(3)21-25(29)18-19-26(32-33-31)22-34-35(30(4,5)6,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,18-19,23-26,29H,17,20-22H2,1-6H3/b19-18+/t24-,25-,26-,29+/m1/s1.
What are the key properties of [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane?
[(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 489.78 g/mol, XLogP of 7.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 102589572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).