(2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol

C24H44O4Si — CID 69022764

IUPAC(2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
SMILESCCCC[Si](C)(C)O[C@@H]([C@@H](C)COCc1ccc(OC)cc1)[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C24H44O4Si/c1-8-9-14-29(6,7)28-24(20(3)15-19(2)16-25)21(4)17-27-18-22-10-12-23(26-5)13-11-22/h10-13,19-21,24-25H,8-9,14-18H2,1-7H3/t19-,20+,21+,24-/m1/s1
InChIKeyWNCHNVGPPGPXKA-MDAIXWLXSA-N
MW424.70 g/mol
LogP5.89
Rot. Bonds15

About (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol

(2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol (PubChem CID 69022764) has the molecular formula C24H44O4Si and a molecular weight of 424.70 g/mol. Its IUPAC name is (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name(2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
PubChem CID69022764
Molecular FormulaC24H44O4Si
Molecular Weight424.70 g/mol
Exact Mass424.30
IUPAC Name(2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
SMILESCCCC[Si](C)(C)O[C@@H]([C@@H](C)COCc1ccc(OC)cc1)[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C24H44O4Si/c1-8-9-14-29(6,7)28-24(20(3)15-19(2)16-25)21(4)17-27-18-22-10-12-23(26-5)13-11-22/h10-13,19-21,24-25H,8-9,14-18H2,1-7H3/t19-,20+,21+,24-/m1/s1
InChIKeyWNCHNVGPPGPXKA-MDAIXWLXSA-N
XLogP5.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
The IUPAC name of (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol (CID 69022764) is (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol.
What is the SMILES notation for (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
The canonical SMILES for (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol is CCCC[Si](C)(C)O[C@@H]([C@@H](C)COCc1ccc(OC)cc1)[C@@H](C)C[C@@H](C)CO.
What is the InChIKey of (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
The InChIKey is WNCHNVGPPGPXKA-MDAIXWLXSA-N. The full InChI is InChI=1S/C24H44O4Si/c1-8-9-14-29(6,7)28-24(20(3)15-19(2)16-25)21(4)17-27-18-22-10-12-23(26-5)13-11-22/h10-13,19-21,24-25H,8-9,14-18H2,1-7H3/t19-,20+,21+,24-/m1/s1.
What are the key properties of (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
(2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol has a molecular weight of 424.70 g/mol, XLogP of 5.89, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 69022764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).