(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol

C16H34O5Si — CID 46894690

IUPAC(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
SMILESC=C[C@@H](OCOCCOC)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O5Si/c1-8-15(20-13-19-12-11-18-5)14(17)9-10-21-22(6,7)16(2,3)4/h8,14-15,17H,1,9-13H2,2-7H3/t14-,15-/m1/s1
InChIKeyKAHWOVJHIFVRCX-HUUCEWRRSA-N
MW334.53 g/mol
LogP2.95
Rot. Bonds12

About (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol

(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol (PubChem CID 46894690) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
PubChem CID46894690
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
SMILESC=C[C@@H](OCOCCOC)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O5Si/c1-8-15(20-13-19-12-11-18-5)14(17)9-10-21-22(6,7)16(2,3)4/h8,14-15,17H,1,9-13H2,2-7H3/t14-,15-/m1/s1
InChIKeyKAHWOVJHIFVRCX-HUUCEWRRSA-N
XLogP2.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.95
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

(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850136
(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
CID 56838093
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxyhex-1-en-3-ol
CID 101564704
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
CID 134901054
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
CID 134901055
(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

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol?
The IUPAC name of (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol (CID 46894690) is (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol?
The canonical SMILES for (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol is C=C[C@@H](OCOCCOC)[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol?
The InChIKey is KAHWOVJHIFVRCX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H34O5Si/c1-8-15(20-13-19-12-11-18-5)14(17)9-10-21-22(6,7)16(2,3)4/h8,14-15,17H,1,9-13H2,2-7H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol?
(3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol has a molecular weight of 334.53 g/mol, XLogP of 2.95, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol is sourced from PubChem (CID 46894690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).