(5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one

C19H34O3Sn — CID 11826113

IUPAC(5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one
SMILESCCCC[Sn](/C=C1/OC(=O)C=C1COC)(CCCC)CCCC
InChIInChI=1S/C7H7O3.3C4H9.Sn/c1-5-6(4-9-2)3-7(8)10-5;3*1-3-4-2;/h1,3H,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyORDBJMBYCDHWNC-UHFFFAOYSA-N
MW429.19 g/mol
LogP5.39
Rot. Bonds12

About (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one

(5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one (PubChem CID 11826113) has the molecular formula C19H34O3Sn and a molecular weight of 429.19 g/mol. Its IUPAC name is (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one
PubChem CID11826113
Molecular FormulaC19H34O3Sn
Molecular Weight429.19 g/mol
Exact Mass430.15
IUPAC Name(5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one
SMILESCCCC[Sn](/C=C1/OC(=O)C=C1COC)(CCCC)CCCC
InChIInChI=1S/C7H7O3.3C4H9.Sn/c1-5-6(4-9-2)3-7(8)10-5;3*1-3-4-2;/h1,3H,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyORDBJMBYCDHWNC-UHFFFAOYSA-N
XLogP5.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.19
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethylidene)-4-heptylfuran-2-one
CID 69129545
3-butylfuran-2,5-dione
CID 11030038
3-hexylfuran-2,5-dione
CID 15882442
3-tetradecylfuran-2,5-dione
CID 10565758
tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane
CID 15688971
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
5-(dibromomethylidene)-4-heptylfuran-2-one
CID 10269415
4-hexyl-5-iminofuran-2-one
CID 174496846
(5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one
CID 102286467
(6Z)-6-(tributylstannylmethylidene)-1,4-oxazepan-5-one
CID 177482261
2-methoxy-3-tributylstannylprop-2-enal
CID 173254861
(5E)-5-pentylidenefuran-2-one
CID 12716501

Frequently Asked Questions

What is the IUPAC name of (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one?
The IUPAC name of (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one (CID 11826113) is (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one.
What is the SMILES notation for (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one?
The canonical SMILES for (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one is CCCC[Sn](/C=C1/OC(=O)C=C1COC)(CCCC)CCCC.
What is the InChIKey of (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one?
The InChIKey is ORDBJMBYCDHWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O3.3C4H9.Sn/c1-5-6(4-9-2)3-7(8)10-5;3*1-3-4-2;/h1,3H,4H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one?
(5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one has a molecular weight of 429.19 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-(methoxymethyl)-5-(tributylstannylmethylidene)furan-2-one is sourced from PubChem (CID 11826113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).