(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile

C23H43NO2Si2 — CID 87487343

IUPAC(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC#N)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO2Si2/c1-13-16-21(26-28(11,12)23(6,7)8)19(17-15-18-24)20(14-2)25-27(9,10)22(3,4)5/h1,14,19-21H,2,15-17H2,3-12H3/t19-,20-,21+/m0/s1
InChIKeyLEFLSSYKNJDPOX-PCCBWWKXSA-N
MW421.77 g/mol
LogP6.90
Rot. Bonds10

About (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile

(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile (PubChem CID 87487343) has the molecular formula C23H43NO2Si2 and a molecular weight of 421.77 g/mol. Its IUPAC name is (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile.

Molecular Properties

Compound Name(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile
PubChem CID87487343
Molecular FormulaC23H43NO2Si2
Molecular Weight421.77 g/mol
Exact Mass421.28
IUPAC Name(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC#N)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO2Si2/c1-13-16-21(26-28(11,12)23(6,7)8)19(17-15-18-24)20(14-2)25-27(9,10)22(3,4)5/h1,14,19-21H,2,15-17H2,3-12H3/t19-,20-,21+/m0/s1
InChIKeyLEFLSSYKNJDPOX-PCCBWWKXSA-N
XLogP6.90
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.77
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 91868233
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynal
CID 10895167
[(1R,2R,3S)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-tert-butyl-dimethylsilane
CID 139993023
(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N,N-diethyloct-1-en-7-yn-4-amine
CID 70678065
[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-ynyl] 4-methylbenzenesulfonate
CID 101062938
tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane
CID 101244819
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
CID 50915307
tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
CID 11299800
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
CID 11773114
tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-3-yloxy)silane
CID 139252745

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile?
The IUPAC name of (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile (CID 87487343) is (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile.
What is the SMILES notation for (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile?
The canonical SMILES for (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC#N)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile?
The InChIKey is LEFLSSYKNJDPOX-PCCBWWKXSA-N. The full InChI is InChI=1S/C23H43NO2Si2/c1-13-16-21(26-28(11,12)23(6,7)8)19(17-15-18-24)20(14-2)25-27(9,10)22(3,4)5/h1,14,19-21H,2,15-17H2,3-12H3/t19-,20-,21+/m0/s1.
What are the key properties of (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile?
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile has a molecular weight of 421.77 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile is sourced from PubChem (CID 87487343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).