(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol

C23H40O4Si — CID 135025916

IUPAC(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
SMILESC=C[C@H](O)C[C@@H](CCCCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4Si/c1-8-20(24)17-22(27-28(6,7)23(2,3)4)11-9-10-16-26-18-19-12-14-21(25-5)15-13-19/h8,12-15,20,22,24H,1,9-11,16-18H2,2-7H3/t20-,22+/m0/s1
InChIKeyINGAYDCKJDUGHQ-RBBKRZOGSA-N
MW408.66 g/mol
LogP5.71
Rot. Bonds13

About (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol

(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol (PubChem CID 135025916) has the molecular formula C23H40O4Si and a molecular weight of 408.66 g/mol. Its IUPAC name is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
PubChem CID135025916
Molecular FormulaC23H40O4Si
Molecular Weight408.66 g/mol
Exact Mass408.27
IUPAC Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
SMILESC=C[C@H](O)C[C@@H](CCCCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4Si/c1-8-20(24)17-22(27-28(6,7)23(2,3)4)11-9-10-16-26-18-19-12-14-21(25-5)15-13-19/h8,12-15,20,22,24H,1,9-11,16-18H2,2-7H3/t20-,22+/m0/s1
InChIKeyINGAYDCKJDUGHQ-RBBKRZOGSA-N
XLogP5.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 46211134
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-[(3S,4S,5E)-7-[(4-methoxyphenyl)methoxy]-3,5-dimethylhepta-1,5-dien-4-yl]oxy-dimethylsilane
CID 66938059
[(E,3R)-7-bromo-1-[(4-methoxyphenyl)methoxy]-5-methylhept-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 59051507
tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
CID 71733102
tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
CID 15417385
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
CID 59913497
(E)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4-methylidenehept-2-enal
CID 11703821

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol?
The IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol (CID 135025916) is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol.
What is the SMILES notation for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol?
The canonical SMILES for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol is C=C[C@H](O)C[C@@H](CCCCOCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol?
The InChIKey is INGAYDCKJDUGHQ-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H40O4Si/c1-8-20(24)17-22(27-28(6,7)23(2,3)4)11-9-10-16-26-18-19-12-14-21(25-5)15-13-19/h8,12-15,20,22,24H,1,9-11,16-18H2,2-7H3/t20-,22+/m0/s1.
What are the key properties of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol?
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol has a molecular weight of 408.66 g/mol, XLogP of 5.71, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol is sourced from PubChem (CID 135025916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).