(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol

C28H42O5Si — CID 11799151

IUPAC(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol
SMILESC=CC[C@H](OCOCCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C28H42O5Si/c1-7-14-27(32-22-31-20-19-30-6)26(23(2)29)21-33-34(28(3,4)5,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h7-13,15-18,23,26-27,29H,1,14,19-22H2,2-6H3/t23-,26+,27-/m0/s1
InChIKeyYCKVKHFQVOXYCC-RNJDCESWSA-N
MW486.73 g/mol
LogP4.14
Rot. Bonds15

About (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol

(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol (PubChem CID 11799151) has the molecular formula C28H42O5Si and a molecular weight of 486.73 g/mol. Its IUPAC name is (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol.

Molecular Properties

Compound Name(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol
PubChem CID11799151
Molecular FormulaC28H42O5Si
Molecular Weight486.73 g/mol
Exact Mass486.28
IUPAC Name(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol
SMILESC=CC[C@H](OCOCCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C28H42O5Si/c1-7-14-27(32-22-31-20-19-30-6)26(23(2)29)21-33-34(28(3,4)5,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h7-13,15-18,23,26-27,29H,1,14,19-22H2,2-6H3/t23-,26+,27-/m0/s1
InChIKeyYCKVKHFQVOXYCC-RNJDCESWSA-N
XLogP4.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.73
LogP ≤ 54.14
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

(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)butan-2-ol
CID 10789555
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11081908
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol?
The IUPAC name of (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol (CID 11799151) is (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol.
What is the SMILES notation for (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol?
The canonical SMILES for (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol is C=CC[C@H](OCOCCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O.
What is the InChIKey of (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol?
The InChIKey is YCKVKHFQVOXYCC-RNJDCESWSA-N. The full InChI is InChI=1S/C28H42O5Si/c1-7-14-27(32-22-31-20-19-30-6)26(23(2)29)21-33-34(28(3,4)5,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h7-13,15-18,23,26-27,29H,1,14,19-22H2,2-6H3/t23-,26+,27-/m0/s1.
What are the key properties of (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol?
(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol has a molecular weight of 486.73 g/mol, XLogP of 4.14, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol is sourced from PubChem (CID 11799151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).