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

C20H34O4Si — CID 166478890

IUPACmethyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate
SMILESCOC(=O)CCCCC1=CC(=O)O/C1=C\[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H34O4Si/c1-14(2)25(15(3)4,16(5)6)13-18-17(12-20(22)24-18)10-8-9-11-19(21)23-7/h12-16H,8-11H2,1-7H3/b18-13-
InChIKeyAPBMJIVDPGDDMS-AQTBWJFISA-N
MW366.57 g/mol
LogP5.30
Rot. Bonds9

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

methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate (PubChem CID 166478890) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate
PubChem CID166478890
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Namemethyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate
SMILESCOC(=O)CCCCC1=CC(=O)O/C1=C\[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H34O4Si/c1-14(2)25(15(3)4,16(5)6)13-18-17(12-20(22)24-18)10-8-9-11-19(21)23-7/h12-16H,8-11H2,1-7H3/b18-13-
InChIKeyAPBMJIVDPGDDMS-AQTBWJFISA-N
XLogP5.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.30
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 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate?
The IUPAC name of methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate (CID 166478890) is methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate.
What is the SMILES notation for methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate?
The canonical SMILES for methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate is COC(=O)CCCCC1=CC(=O)O/C1=C\[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate?
The InChIKey is APBMJIVDPGDDMS-AQTBWJFISA-N. The full InChI is InChI=1S/C20H34O4Si/c1-14(2)25(15(3)4,16(5)6)13-18-17(12-20(22)24-18)10-8-9-11-19(21)23-7/h12-16H,8-11H2,1-7H3/b18-13-.
What are the key properties of methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate?
methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate has a molecular weight of 366.57 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate is sourced from PubChem (CID 166478890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).