(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol

C17H36O5Si — CID 123553696

IUPAC(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
SMILESC=C[C@H](OCOCCOC)[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O5Si/c1-8-16(21-14-20-13-12-19-5)15(18)10-9-11-22-23(6,7)17(2,3)4/h8,15-16,18H,1,9-14H2,2-7H3/t15-,16+/m1/s1
InChIKeyCBSHCZZQZNVVRE-CVEARBPZSA-N
MW348.56 g/mol
LogP3.34
Rot. Bonds13

About (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol

(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol (PubChem CID 123553696) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
PubChem CID123553696
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Name(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
SMILESC=C[C@H](OCOCCOC)[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O5Si/c1-8-16(21-14-20-13-12-19-5)15(18)10-9-11-22-23(6,7)17(2,3)4/h8,15-16,18H,1,9-14H2,2-7H3/t15-,16+/m1/s1
InChIKeyCBSHCZZQZNVVRE-CVEARBPZSA-N
XLogP3.34
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.34
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,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-4-methylhept-1-en-4-ol
CID 71492074
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
CID 23253498
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(4S,5R)-N,N-dibenzyl-1-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)heptan-4-amine
CID 10962478
(3R,4S,5R)-4-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]oct-1-en-7-yne-3,5-diol
CID 11325348
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol
CID 59051785

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol?
The IUPAC name of (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol (CID 123553696) is (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol.
What is the SMILES notation for (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol?
The canonical SMILES for (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol is C=C[C@H](OCOCCOC)[C@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol?
The InChIKey is CBSHCZZQZNVVRE-CVEARBPZSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-8-16(21-14-20-13-12-19-5)15(18)10-9-11-22-23(6,7)17(2,3)4/h8,15-16,18H,1,9-14H2,2-7H3/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol?
(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol has a molecular weight of 348.56 g/mol, XLogP of 3.34, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol is sourced from PubChem (CID 123553696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).