(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol

C15H32O4Si — CID 11709271

IUPAC(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
SMILESC=C[C@H](OCOC)[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-14(18-11-17-6)13(16)10-12(2)19-20(7,8)15(3,4)5/h9,12-14,16H,1,10-11H2,2-8H3/t12-,13-,14-/m0/s1
InChIKeyIMGUNDKJCIPZGB-IHRRRGAJSA-N
MW304.50 g/mol
LogP3.32
Rot. Bonds9

About (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol

(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol (PubChem CID 11709271) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol.

Molecular Properties

Compound Name(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
PubChem CID11709271
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
SMILESC=C[C@H](OCOC)[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-14(18-11-17-6)13(16)10-12(2)19-20(7,8)15(3,4)5/h9,12-14,16H,1,10-11H2,2-8H3/t12-,13-,14-/m0/s1
InChIKeyIMGUNDKJCIPZGB-IHRRRGAJSA-N
XLogP3.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850136
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
CID 56838093
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(3R)-2-methyl-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
CID 134971279
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 135024857
(4S,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)dodec-1-en-4-ol
CID 138967169
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
CID 139252209
(2R,3S,4S,5S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(((R)-hex-1-en-3-yl)oxy)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177095
(1R)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 11047426

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol?
The IUPAC name of (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol (CID 11709271) is (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol.
What is the SMILES notation for (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol?
The canonical SMILES for (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol is C=C[C@H](OCOC)[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol?
The InChIKey is IMGUNDKJCIPZGB-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-9-14(18-11-17-6)13(16)10-12(2)19-20(7,8)15(3,4)5/h9,12-14,16H,1,10-11H2,2-8H3/t12-,13-,14-/m0/s1.
What are the key properties of (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol?
(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol has a molecular weight of 304.50 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol is sourced from PubChem (CID 11709271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).