(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol

C26H46O5Si — CID 10552181

IUPAC(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](COCOCc1ccc(OC)cc1)[C@@H](C)O
InChIInChI=1S/C26H46O5Si/c1-10-11-26(31-32(19(2)3,20(4)5)21(6)7)25(22(8)27)17-30-18-29-16-23-12-14-24(28-9)15-13-23/h10,12-15,19-22,25-27H,1,11,16-18H2,2-9H3/t22-,25+,26+/m1/s1
InChIKeyHPBRLXYSEMDYRX-RZFJZAQRSA-N
MW466.74 g/mol
LogP6.32
Rot. Bonds16

About (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol

(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol (PubChem CID 10552181) has the molecular formula C26H46O5Si and a molecular weight of 466.74 g/mol. Its IUPAC name is (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol.

Molecular Properties

Compound Name(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol
PubChem CID10552181
Molecular FormulaC26H46O5Si
Molecular Weight466.74 g/mol
Exact Mass466.31
IUPAC Name(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](COCOCc1ccc(OC)cc1)[C@@H](C)O
InChIInChI=1S/C26H46O5Si/c1-10-11-26(31-32(19(2)3,20(4)5)21(6)7)25(22(8)27)17-30-18-29-16-23-12-14-24(28-9)15-13-23/h10,12-15,19-22,25-27H,1,11,16-18H2,2-9H3/t22-,25+,26+/m1/s1
InChIKeyHPBRLXYSEMDYRX-RZFJZAQRSA-N
XLogP6.32
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
CID 11731013
[(1R,2R,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl] acetate
CID 134973540
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
(3S)-4-hydroxy-3-[(2S,3R,4S)-4-[(4-methoxyphenyl)methoxy]-2-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-3-yl]oxybutanenitrile
CID 101411245
(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol
CID 89257971
triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane
CID 177405989
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol?
The IUPAC name of (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol (CID 10552181) is (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol.
What is the SMILES notation for (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol?
The canonical SMILES for (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol is C=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](COCOCc1ccc(OC)cc1)[C@@H](C)O.
What is the InChIKey of (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol?
The InChIKey is HPBRLXYSEMDYRX-RZFJZAQRSA-N. The full InChI is InChI=1S/C26H46O5Si/c1-10-11-26(31-32(19(2)3,20(4)5)21(6)7)25(22(8)27)17-30-18-29-16-23-12-14-24(28-9)15-13-23/h10,12-15,19-22,25-27H,1,11,16-18H2,2-9H3/t22-,25+,26+/m1/s1.
What are the key properties of (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol?
(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol has a molecular weight of 466.74 g/mol, XLogP of 6.32, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol is sourced from PubChem (CID 10552181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).