(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one

C16H27IO3Si — CID 10927967

IUPAC(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CC[C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H27IO3Si/c1-12-11-13(15(18)19-12)7-8-14(9-10-17)20-21(5,6)16(2,3)4/h9-12,14H,7-8H2,1-6H3/b10-9+/t12-,14+/m0/s1
InChIKeySFDTUFODVUXNIW-JMRXXTBOSA-N
MW422.38 g/mol
LogP4.98
Rot. Bonds6

About (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one

(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one (PubChem CID 10927967) has the molecular formula C16H27IO3Si and a molecular weight of 422.38 g/mol. Its IUPAC name is (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
PubChem CID10927967
Molecular FormulaC16H27IO3Si
Molecular Weight422.38 g/mol
Exact Mass422.08
IUPAC Name(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CC[C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H27IO3Si/c1-12-11-13(15(18)19-12)7-8-14(9-10-17)20-21(5,6)16(2,3)4/h9-12,14H,7-8H2,1-6H3/b10-9+/t12-,14+/m0/s1
InChIKeySFDTUFODVUXNIW-JMRXXTBOSA-N
XLogP4.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one (CID 10927967) is (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one is C[C@H]1C=C(CC[C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
The InChIKey is SFDTUFODVUXNIW-JMRXXTBOSA-N. The full InChI is InChI=1S/C16H27IO3Si/c1-12-11-13(15(18)19-12)7-8-14(9-10-17)20-21(5,6)16(2,3)4/h9-12,14H,7-8H2,1-6H3/b10-9+/t12-,14+/m0/s1.
What are the key properties of (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one has a molecular weight of 422.38 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 10927967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).