(Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal

C13H20O6Si — CID 174000333

IUPAC(Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal
SMILESCO[Si](O)(CCCOC/C(C=O)=C/c1ccco1)OC
InChIInChI=1S/C13H20O6Si/c1-16-20(15,17-2)8-4-6-18-11-12(10-14)9-13-5-3-7-19-13/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3/b12-9+
InChIKeySPDNZAMHIFZGQH-FMIVXFBMSA-N
MW300.38 g/mol
LogP1.49
Rot. Bonds10

About (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal

(Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal (PubChem CID 174000333) has the molecular formula C13H20O6Si and a molecular weight of 300.38 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal
PubChem CID174000333
Molecular FormulaC13H20O6Si
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Name(Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal
SMILESCO[Si](O)(CCCOC/C(C=O)=C/c1ccco1)OC
InChIInChI=1S/C13H20O6Si/c1-16-20(15,17-2)8-4-6-18-11-12(10-14)9-13-5-3-7-19-13/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3/b12-9+
InChIKeySPDNZAMHIFZGQH-FMIVXFBMSA-N
XLogP1.49
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methylfuran
CID 10797
2-Methyl-3(2-furyl)acrolein
CID 6210220
3-(5-Methyl-2-furyl)prop-2-enal
CID 11434978
3-(2-Furyl)acrolein
CID 12174
Furfurylideneacetone
CID 212930
(E)-Ethyl 3-(2-furyl)acrylate
CID 699489
2,3-Dimethylfuran
CID 34337
2-Propenoic acid, 3-(2-furanyl)-, methyl ester
CID 5355414
2-Furfurylidenebutyraldehyde
CID 6435826
Atractylodin
CID 5321047
Propyl 2-furanacrylate
CID 6537093
Furfuralacetone
CID 735940

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal?
The IUPAC name of (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal (CID 174000333) is (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal is CO[Si](O)(CCCOC/C(C=O)=C/c1ccco1)OC.
What is the InChIKey of (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal?
The InChIKey is SPDNZAMHIFZGQH-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H20O6Si/c1-16-20(15,17-2)8-4-6-18-11-12(10-14)9-13-5-3-7-19-13/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3/b12-9+.
What are the key properties of (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal?
(Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal has a molecular weight of 300.38 g/mol, XLogP of 1.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal is sourced from PubChem (CID 174000333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).