methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate

C19H34O5Si — CID 5373595

IUPACmethyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate
SMILESCOC(=O)/C=C/CC(C)OC(=O)/C=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-15(11-9-13-17(20)22-6)23-18(21)14-10-12-16(2)24-25(7,8)19(3,4)5/h9-10,13-16H,11-12H2,1-8H3/b13-9+,14-10+
InChIKeyKFHDAVRQVQOBEO-UTLPMFLDSA-N
MW370.56 g/mol
LogP4.39
Rot. Bonds9

About methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate

methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate (PubChem CID 5373595) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate
PubChem CID5373595
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namemethyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate
SMILESCOC(=O)/C=C/CC(C)OC(=O)/C=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-15(11-9-13-17(20)22-6)23-18(21)14-10-12-16(2)24-25(7,8)19(3,4)5/h9-10,13-16H,11-12H2,1-8H3/b13-9+,14-10+
InChIKeyKFHDAVRQVQOBEO-UTLPMFLDSA-N
XLogP4.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate?
The IUPAC name of methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate (CID 5373595) is methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate.
What is the SMILES notation for methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate?
The canonical SMILES for methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate is COC(=O)/C=C/CC(C)OC(=O)/C=C/CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate?
The InChIKey is KFHDAVRQVQOBEO-UTLPMFLDSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-15(11-9-13-17(20)22-6)23-18(21)14-10-12-16(2)24-25(7,8)19(3,4)5/h9-10,13-16H,11-12H2,1-8H3/b13-9+,14-10+.
What are the key properties of methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate?
methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate has a molecular weight of 370.56 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxyhex-2-enoate is sourced from PubChem (CID 5373595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).