ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate

C19H38O5Si — CID 11014235

IUPACethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate
SMILESCCOC(=O)/C=C/CC[C@](C)(COCOC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-9-23-17(20)12-10-11-13-19(5,14-22-16-21-6)15-24-25(7,8)18(2,3)4/h10,12H,9,11,13-16H2,1-8H3/b12-10+/t19-/m1/s1
InChIKeyIPQYZMWGOYIFKW-FMAYLGMYSA-N
MW374.59 g/mol
LogP4.53
Rot. Bonds12

About ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate

ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate (PubChem CID 11014235) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate.

Molecular Properties

Compound Nameethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate
PubChem CID11014235
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Nameethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate
SMILESCCOC(=O)/C=C/CC[C@](C)(COCOC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-9-23-17(20)12-10-11-13-19(5,14-22-16-21-6)15-24-25(7,8)18(2,3)4/h10,12H,9,11,13-16H2,1-8H3/b12-10+/t19-/m1/s1
InChIKeyIPQYZMWGOYIFKW-FMAYLGMYSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate?
The IUPAC name of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate (CID 11014235) is ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate.
What is the SMILES notation for ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate?
The canonical SMILES for ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate is CCOC(=O)/C=C/CC[C@](C)(COCOC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate?
The InChIKey is IPQYZMWGOYIFKW-FMAYLGMYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-9-23-17(20)12-10-11-13-19(5,14-22-16-21-6)15-24-25(7,8)18(2,3)4/h10,12H,9,11,13-16H2,1-8H3/b12-10+/t19-/m1/s1.
What are the key properties of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate?
ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate has a molecular weight of 374.59 g/mol, XLogP of 4.53, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate is sourced from PubChem (CID 11014235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).