[(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane

C13H27IOSi — CID 25058880

IUPAC[(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C(I)=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H27IOSi/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h8,10-12H,9H2,1-7H3/b13-8-
InChIKeyJVJROZNTYHFOOF-JYRVWZFOSA-N
MW354.35 g/mol
LogP5.52
Rot. Bonds6

About [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane

[(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane (PubChem CID 25058880) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane
PubChem CID25058880
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Name[(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C(I)=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H27IOSi/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h8,10-12H,9H2,1-7H3/b13-8-
InChIKeyJVJROZNTYHFOOF-JYRVWZFOSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane (CID 25058880) is [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane is C/C(I)=C/CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane?
The InChIKey is JVJROZNTYHFOOF-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h8,10-12H,9H2,1-7H3/b13-8-.
What are the key properties of [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane?
[(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane has a molecular weight of 354.35 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-iodobut-2-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 25058880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).