ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate

C15H30O5Si — CID 11290125

IUPACethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](O)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-7-19-14(18)9-8-12(16)13(17)10-11-20-21(5,6)15(2,3)4/h8-9,12-13,16-17H,7,10-11H2,1-6H3/b9-8+/t12-,13-/m1/s1
InChIKeyBIZZWRWZFNZHHY-RYYBZQDPSA-N
MW318.49 g/mol
LogP2.24
Rot. Bonds8

About ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate

ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate (PubChem CID 11290125) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate
PubChem CID11290125
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Nameethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](O)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-7-19-14(18)9-8-12(16)13(17)10-11-20-21(5,6)15(2,3)4/h8-9,12-13,16-17H,7,10-11H2,1-6H3/b9-8+/t12-,13-/m1/s1
InChIKeyBIZZWRWZFNZHHY-RYYBZQDPSA-N
XLogP2.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Colletodiol
CID 11277576
4-Keto-Clonostachydiol
CID 10469094
Clonostachydiol
CID 6507074
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
CID 381251
CID 381251
10-epi-Colletodiol
CID 10469093
(3E,6R,9E,11R,12S,14R)-11,12-Dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 10660695
Cordybislactone
CID 139589501
Hydrolyzed cordybislactone
CID 139589502
Pestalotiopyrolide A
CID 156583174
[(2R)-2-hydroxy-2-[(2S,3R)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]ethyl] acetate
CID 177658331
(3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 5468288

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate?
The IUPAC name of ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate (CID 11290125) is ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate.
What is the SMILES notation for ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate?
The canonical SMILES for ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate is CCOC(=O)/C=C/[C@@H](O)[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate?
The InChIKey is BIZZWRWZFNZHHY-RYYBZQDPSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-7-19-14(18)9-8-12(16)13(17)10-11-20-21(5,6)15(2,3)4/h8-9,12-13,16-17H,7,10-11H2,1-6H3/b9-8+/t12-,13-/m1/s1.
What are the key properties of ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate?
ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate has a molecular weight of 318.49 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate is sourced from PubChem (CID 11290125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).