(5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one

C25H40O4Si2 — CID 10885031

IUPAC(5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C1/C=CC(=O)O1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C25H40O4Si2/c1-24(2,3)30(7,8)28-21(18-20-16-17-22(26)27-20)23(19-14-12-11-13-15-19)29-31(9,10)25(4,5)6/h11-18,21,23H,1-10H3/b20-18-/t21-,23+/m0/s1
InChIKeyUVBCDBIMFTXAQB-AUWWGTENSA-N
MW460.76 g/mol
LogP7.14
Rot. Bonds7

About (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one

(5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one (PubChem CID 10885031) has the molecular formula C25H40O4Si2 and a molecular weight of 460.76 g/mol. Its IUPAC name is (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one
PubChem CID10885031
Molecular FormulaC25H40O4Si2
Molecular Weight460.76 g/mol
Exact Mass460.25
IUPAC Name(5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C1/C=CC(=O)O1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C25H40O4Si2/c1-24(2,3)30(7,8)28-21(18-20-16-17-22(26)27-20)23(19-14-12-11-13-15-19)29-31(9,10)25(4,5)6/h11-18,21,23H,1-10H3/b20-18-/t21-,23+/m0/s1
InChIKeyUVBCDBIMFTXAQB-AUWWGTENSA-N
XLogP7.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.76
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one?
The IUPAC name of (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one (CID 10885031) is (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one is CC(C)(C)[Si](C)(C)O[C@@H](/C=C1/C=CC(=O)O1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one?
The InChIKey is UVBCDBIMFTXAQB-AUWWGTENSA-N. The full InChI is InChI=1S/C25H40O4Si2/c1-24(2,3)30(7,8)28-21(18-20-16-17-22(26)27-20)23(19-14-12-11-13-15-19)29-31(9,10)25(4,5)6/h11-18,21,23H,1-10H3/b20-18-/t21-,23+/m0/s1.
What are the key properties of (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one?
(5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one has a molecular weight of 460.76 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropylidene]furan-2-one is sourced from PubChem (CID 10885031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).