methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate

C21H36O4Si — CID 166478858

IUPACmethyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate
SMILESCOC(=O)CCCCCC1=CC(=O)O/C1=C\[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O4Si/c1-15(2)26(16(3)4,17(5)6)14-19-18(13-21(23)25-19)11-9-8-10-12-20(22)24-7/h13-17H,8-12H2,1-7H3/b19-14-
InChIKeyKGXXUEYEIITVFJ-RGEXLXHISA-N
MW380.60 g/mol
LogP5.70
Rot. Bonds10

About methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate

methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate (PubChem CID 166478858) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate
PubChem CID166478858
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Namemethyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate
SMILESCOC(=O)CCCCCC1=CC(=O)O/C1=C\[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O4Si/c1-15(2)26(16(3)4,17(5)6)14-19-18(13-21(23)25-19)11-9-8-10-12-20(22)24-7/h13-17H,8-12H2,1-7H3/b19-14-
InChIKeyKGXXUEYEIITVFJ-RGEXLXHISA-N
XLogP5.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate?
The IUPAC name of methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate (CID 166478858) is methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate.
What is the SMILES notation for methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate?
The canonical SMILES for methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate is COC(=O)CCCCCC1=CC(=O)O/C1=C\[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate?
The InChIKey is KGXXUEYEIITVFJ-RGEXLXHISA-N. The full InChI is InChI=1S/C21H36O4Si/c1-15(2)26(16(3)4,17(5)6)14-19-18(13-21(23)25-19)11-9-8-10-12-20(22)24-7/h13-17H,8-12H2,1-7H3/b19-14-.
What are the key properties of methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate?
methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate has a molecular weight of 380.60 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]hexanoate is sourced from PubChem (CID 166478858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).