(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol

C15H32O4Si — CID 134842571

IUPAC(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
SMILESCOCO[C@H](C/C=C/CO)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-13(19-20(6,7)15(2,3)4)14(18-12-17-5)10-8-9-11-16/h8-9,13-14,16H,10-12H2,1-7H3/b9-8+/t13-,14+/m0/s1
InChIKeyPYACHOFWVIRIJL-NYCDYWJRSA-N
MW304.50 g/mol
LogP3.32
Rot. Bonds9

About (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol

(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol (PubChem CID 134842571) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol.

Molecular Properties

Compound Name(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
PubChem CID134842571
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
SMILESCOCO[C@H](C/C=C/CO)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-13(19-20(6,7)15(2,3)4)14(18-12-17-5)10-8-9-11-16/h8-9,13-14,16H,10-12H2,1-7H3/b9-8+/t13-,14+/m0/s1
InChIKeyPYACHOFWVIRIJL-NYCDYWJRSA-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

2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
CID 134863284
(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
(4R,5E,7S)-7-(methoxymethoxy)-7-methyl-8-tri(propan-2-yl)silyloxyocta-1,5-dien-4-ol
CID 134939182
(2E,4R,5R,7E,9E,13S,14S)-13-(methoxymethoxy)-2,4,7-trimethyl-14-tri(propan-2-yl)silyloxyhexadeca-2,7,9,15-tetraene-1,5-diol
CID 139252214
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273
2-(tert-Butyl-dimethyl-silanyloxy)-dodeca-4,10-dien-6-ol
CID 145927284
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-11-methyl-dodeca-4,10-dien-6-ol
CID 145927286
(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol
CID 11119829
(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11779714

Frequently Asked Questions

What is the IUPAC name of (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol?
The IUPAC name of (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol (CID 134842571) is (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol.
What is the SMILES notation for (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol?
The canonical SMILES for (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol is COCO[C@H](C/C=C/CO)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol?
The InChIKey is PYACHOFWVIRIJL-NYCDYWJRSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-13(19-20(6,7)15(2,3)4)14(18-12-17-5)10-8-9-11-16/h8-9,13-14,16H,10-12H2,1-7H3/b9-8+/t13-,14+/m0/s1.
What are the key properties of (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol?
(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-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 (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol is sourced from PubChem (CID 134842571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).