(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol

C32H42O4Si — CID 11731013

IUPAC(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
SMILESC=CC[C@H](O)[C@@H](C)[C@@H](COCc1ccc(OC)cc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42O4Si/c1-7-14-30(33)25(2)31(24-35-23-26-19-21-27(34-6)22-20-26)36-37(32(3,4)5,28-15-10-8-11-16-28)29-17-12-9-13-18-29/h7-13,15-22,25,30-31,33H,1,14,23-24H2,2-6H3/t25-,30+,31-/m1/s1
InChIKeyVCQQQRWENHCVTF-SDDUWZMOSA-N
MW518.77 g/mol
LogP5.73
Rot. Bonds13

About (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol

(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol (PubChem CID 11731013) has the molecular formula C32H42O4Si and a molecular weight of 518.77 g/mol. Its IUPAC name is (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol.

Molecular Properties

Compound Name(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
PubChem CID11731013
Molecular FormulaC32H42O4Si
Molecular Weight518.77 g/mol
Exact Mass518.29
IUPAC Name(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
SMILESC=CC[C@H](O)[C@@H](C)[C@@H](COCc1ccc(OC)cc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42O4Si/c1-7-14-30(33)25(2)31(24-35-23-26-19-21-27(34-6)22-20-26)36-37(32(3,4)5,28-15-10-8-11-16-28)29-17-12-9-13-18-29/h7-13,15-22,25,30-31,33H,1,14,23-24H2,2-6H3/t25-,30+,31-/m1/s1
InChIKeyVCQQQRWENHCVTF-SDDUWZMOSA-N
XLogP5.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.77
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
(2S,4S,5S)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxy]-2-methyl-1-phenylmethoxyoct-7-en-4-ol
CID 102089644
[(2S,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-2,6-dimethyl-7-phenylmethoxyheptyl] 4-methylbenzenesulfonate
CID 101483005
(2S,3Z,5S,6Z,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]dodeca-3,6-dien-5-ol
CID 166444797
tert-butyl-[(3Z,5S)-2-ethyl-5-[(4-methoxyphenyl)methoxy]octa-3,7-dienoxy]-diphenylsilane
CID 71726043
(8R,9R)-9-[tert-butyl(diphenyl)silyl]oxy-6-fluoro-1-[(4-methoxyphenyl)methoxy]-8-methyldec-6-en-3-yn-5-ol
CID 91047673
tert-butyl-[(2S)-1-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-diphenylsilane
CID 10793853
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
(3R,4R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanal
CID 23636317
(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol
CID 11605228
tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane
CID 102174057
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
CID 177474808

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol?
The IUPAC name of (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol (CID 11731013) is (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol.
What is the SMILES notation for (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol?
The canonical SMILES for (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol is C=CC[C@H](O)[C@@H](C)[C@@H](COCc1ccc(OC)cc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol?
The InChIKey is VCQQQRWENHCVTF-SDDUWZMOSA-N. The full InChI is InChI=1S/C32H42O4Si/c1-7-14-30(33)25(2)31(24-35-23-26-19-21-27(34-6)22-20-26)36-37(32(3,4)5,28-15-10-8-11-16-28)29-17-12-9-13-18-29/h7-13,15-22,25,30-31,33H,1,14,23-24H2,2-6H3/t25-,30+,31-/m1/s1.
What are the key properties of (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol?
(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol has a molecular weight of 518.77 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol is sourced from PubChem (CID 11731013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).