(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal

C12H23IO2Si — CID 91525111

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal
SMILESCC(=CI)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23IO2Si/c1-10(9-13)11(7-8-14)15-16(5,6)12(2,3)4/h8-9,11H,7H2,1-6H3/t11-/m0/s1
InChIKeyMLZDQQYRPNNLBG-NSHDSACASA-N
MW354.30 g/mol
LogP4.30
Rot. Bonds5

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal (PubChem CID 91525111) has the molecular formula C12H23IO2Si and a molecular weight of 354.30 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal
PubChem CID91525111
Molecular FormulaC12H23IO2Si
Molecular Weight354.30 g/mol
Exact Mass354.05
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal
SMILESCC(=CI)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23IO2Si/c1-10(9-13)11(7-8-14)15-16(5,6)12(2,3)4/h8-9,11H,7H2,1-6H3/t11-/m0/s1
InChIKeyMLZDQQYRPNNLBG-NSHDSACASA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal (CID 91525111) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal is CC(=CI)[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal?
The InChIKey is MLZDQQYRPNNLBG-NSHDSACASA-N. The full InChI is InChI=1S/C12H23IO2Si/c1-10(9-13)11(7-8-14)15-16(5,6)12(2,3)4/h8-9,11H,7H2,1-6H3/t11-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal has a molecular weight of 354.30 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal is sourced from PubChem (CID 91525111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).