(E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol

C10H23IOSi2 — CID 134992873

IUPAC(E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol
SMILESC[Si](C)(C)/C=C/[C@@H](I)[C@@H](O)[Si](C)(C)C
InChIInChI=1S/C10H23IOSi2/c1-13(2,3)8-7-9(11)10(12)14(4,5)6/h7-10,12H,1-6H3/b8-7+/t9-,10+/m1/s1
InChIKeyCDICXWJPDHSQRK-PSFRMBJNSA-N
MW342.37 g/mol
LogP3.46
Rot. Bonds4

About (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol

(E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol (PubChem CID 134992873) has the molecular formula C10H23IOSi2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol.

Molecular Properties

Compound Name(E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol
PubChem CID134992873
Molecular FormulaC10H23IOSi2
Molecular Weight342.37 g/mol
Exact Mass342.03
IUPAC Name(E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol
SMILESC[Si](C)(C)/C=C/[C@@H](I)[C@@H](O)[Si](C)(C)C
InChIInChI=1S/C10H23IOSi2/c1-13(2,3)8-7-9(11)10(12)14(4,5)6/h7-10,12H,1-6H3/b8-7+/t9-,10+/m1/s1
InChIKeyCDICXWJPDHSQRK-PSFRMBJNSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol?
The IUPAC name of (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol (CID 134992873) is (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol.
What is the SMILES notation for (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol?
The canonical SMILES for (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol is C[Si](C)(C)/C=C/[C@@H](I)[C@@H](O)[Si](C)(C)C.
What is the InChIKey of (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol?
The InChIKey is CDICXWJPDHSQRK-PSFRMBJNSA-N. The full InChI is InChI=1S/C10H23IOSi2/c1-13(2,3)8-7-9(11)10(12)14(4,5)6/h7-10,12H,1-6H3/b8-7+/t9-,10+/m1/s1.
What are the key properties of (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol?
(E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol has a molecular weight of 342.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,2R)-2-iodo-1,4-bis(trimethylsilyl)but-3-en-1-ol is sourced from PubChem (CID 134992873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).