1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid

C14H16O4Si — CID 175907656

IUPAC1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid
SMILESCCO[si]1ccccc1.O=C(O)C=Cc1ccco1
InChIInChI=1S/C7H6O3.C7H10OSi/c8-7(9)4-3-6-2-1-5-10-6;1-2-8-9-6-4-3-5-7-9/h1-5H,(H,8,9);3-7H,2H2,1H3
InChIKeyVXRXHYPZSXLQRK-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.54
Rot. Bonds4

About 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid

1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid (PubChem CID 175907656) has the molecular formula C14H16O4Si and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid
PubChem CID175907656
Molecular FormulaC14H16O4Si
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid
SMILESCCO[si]1ccccc1.O=C(O)C=Cc1ccco1
InChIInChI=1S/C7H6O3.C7H10OSi/c8-7(9)4-3-6-2-1-5-10-6;1-2-8-9-6-4-3-5-7-9/h1-5H,(H,8,9);3-7H,2H2,1H3
InChIKeyVXRXHYPZSXLQRK-UHFFFAOYSA-N
XLogP2.54
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(furan-2-yl)prop-2-enoic acid
CID 159116571
triethylplumbyl 3-(furan-2-yl)prop-2-enoate
CID 53421031
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
lithium;butane;5-(furan-2-yl)penta-2,4-dienoic acid
CID 173216001
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
CID 59090942
CID 59090942
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
2-(2-ethoxyethenyl)furan
CID 173252893
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541

Frequently Asked Questions

What is the IUPAC name of 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid?
The IUPAC name of 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid (CID 175907656) is 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid.
What is the SMILES notation for 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid?
The canonical SMILES for 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid is CCO[si]1ccccc1.O=C(O)C=Cc1ccco1.
What is the InChIKey of 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid?
The InChIKey is VXRXHYPZSXLQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C7H10OSi/c8-7(9)4-3-6-2-1-5-10-6;1-2-8-9-6-4-3-5-7-9/h1-5H,(H,8,9);3-7H,2H2,1H3.
What are the key properties of 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid?
1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid has a molecular weight of 276.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 175907656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).