(2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol

C35H55NO4Si — CID 140700062

IUPAC(2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol
SMILESC=C[C@H](C)[C@@H](OC1C[C@@H](N(C)C)C[C@@H](C)O1)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H55NO4Si/c1-11-27(3)33(40-32-23-29(36(9)10)22-28(4)39-32)35(8,37)24-26(2)25-38-41(34(5,6)7,30-18-14-12-15-19-30)31-20-16-13-17-21-31/h11-21,26-29,32-33,37H,1,22-25H2,2-10H3/t26-,27+,28-,29+,32?,33-,35-/m1/s1
InChIKeyLLUQMNYUOLTBAU-NEMNQXBYSA-N
MW581.91 g/mol
LogP6.00
Rot. Bonds13

About (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol

(2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol (PubChem CID 140700062) has the molecular formula C35H55NO4Si and a molecular weight of 581.91 g/mol. Its IUPAC name is (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol.

Molecular Properties

Compound Name(2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol
PubChem CID140700062
Molecular FormulaC35H55NO4Si
Molecular Weight581.91 g/mol
Exact Mass581.39
IUPAC Name(2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol
SMILESC=C[C@H](C)[C@@H](OC1C[C@@H](N(C)C)C[C@@H](C)O1)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H55NO4Si/c1-11-27(3)33(40-32-23-29(36(9)10)22-28(4)39-32)35(8,37)24-26(2)25-38-41(34(5,6)7,30-18-14-12-15-19-30)31-20-16-13-17-21-31/h11-21,26-29,32-33,37H,1,22-25H2,2-10H3/t26-,27+,28-,29+,32?,33-,35-/m1/s1
InChIKeyLLUQMNYUOLTBAU-NEMNQXBYSA-N
XLogP6.00
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.91
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol with MolForge

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Related Compounds

(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
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane
CID 165163184
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinic acid
CID 145359346
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
CID 141485300
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol?
The IUPAC name of (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol (CID 140700062) is (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol.
What is the SMILES notation for (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol?
The canonical SMILES for (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol is C=C[C@H](C)[C@@H](OC1C[C@@H](N(C)C)C[C@@H](C)O1)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol?
The InChIKey is LLUQMNYUOLTBAU-NEMNQXBYSA-N. The full InChI is InChI=1S/C35H55NO4Si/c1-11-27(3)33(40-32-23-29(36(9)10)22-28(4)39-32)35(8,37)24-26(2)25-38-41(34(5,6)7,30-18-14-12-15-19-30)31-20-16-13-17-21-31/h11-21,26-29,32-33,37H,1,22-25H2,2-10H3/t26-,27+,28-,29+,32?,33-,35-/m1/s1.
What are the key properties of (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol?
(2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol has a molecular weight of 581.91 g/mol, XLogP of 6.00, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,4,6-trimethyloct-7-en-4-ol is sourced from PubChem (CID 140700062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).