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

C16H27IO3Si — CID 11418784

IUPAC(2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(C[C@@H](C/C=C/I)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H27IO3Si/c1-12-10-13(15(18)19-12)11-14(8-7-9-17)20-21(5,6)16(2,3)4/h7,9-10,12,14H,8,11H2,1-6H3/b9-7+/t12-,14+/m0/s1
InChIKeySOQIVCZBBVTCCC-GKUAPZSJSA-N
MW422.38 g/mol
LogP4.98
Rot. Bonds6

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

(2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one (PubChem CID 11418784) has the molecular formula C16H27IO3Si and a molecular weight of 422.38 g/mol. Its IUPAC name is (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
PubChem CID11418784
Molecular FormulaC16H27IO3Si
Molecular Weight422.38 g/mol
Exact Mass422.08
IUPAC Name(2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(C[C@@H](C/C=C/I)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H27IO3Si/c1-12-10-13(15(18)19-12)11-14(8-7-9-17)20-21(5,6)16(2,3)4/h7,9-10,12,14H,8,11H2,1-6H3/b9-7+/t12-,14+/m0/s1
InChIKeySOQIVCZBBVTCCC-GKUAPZSJSA-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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Related Compounds

(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodohept-6-ynyl]-2-methyl-2H-furan-5-one
CID 10863259
(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
CID 11846083
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one
CID 24808910
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenehept-6-enoate
CID 101405309
ethyl (2Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-[3-(5-oxo-2H-furan-4-yl)propylidene]hept-6-enoate
CID 134962603
(2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enyl]-2-methyl-2H-furan-5-one
CID 11351062
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexene-1-carboxylate
CID 89597280
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexene-1-carboxylate
CID 173729900
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-8-iodooct-2-enoate
CID 10717312
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one
CID 10832751
(3E,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one
CID 10868916
(2S)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one
CID 10927967

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one (CID 11418784) is (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one is C[C@H]1C=C(C[C@@H](C/C=C/I)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
The InChIKey is SOQIVCZBBVTCCC-GKUAPZSJSA-N. The full InChI is InChI=1S/C16H27IO3Si/c1-12-10-13(15(18)19-12)11-14(8-7-9-17)20-21(5,6)16(2,3)4/h7,9-10,12,14H,8,11H2,1-6H3/b9-7+/t12-,14+/m0/s1.
What are the key properties of (2S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one?
(2S)-4-[(E,2R)-2-[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,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11418784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).