6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline

C10H17IOSi — CID 101161632

IUPAC6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline
SMILESC[Si]1(C)C=CCC(CC/C=C\I)O1
InChIInChI=1S/C10H17IOSi/c1-13(2)9-5-7-10(12-13)6-3-4-8-11/h4-5,8-10H,3,6-7H2,1-2H3/b8-4-
InChIKeyINSYPLPELWPPEJ-YWEYNIOJSA-N
MW308.24 g/mol
LogP3.80
Rot. Bonds3

About 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline

6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline (PubChem CID 101161632) has the molecular formula C10H17IOSi and a molecular weight of 308.24 g/mol. Its IUPAC name is 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline.

Molecular Properties

Compound Name6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline
PubChem CID101161632
Molecular FormulaC10H17IOSi
Molecular Weight308.24 g/mol
Exact Mass308.01
IUPAC Name6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline
SMILESC[Si]1(C)C=CCC(CC/C=C\I)O1
InChIInChI=1S/C10H17IOSi/c1-13(2)9-5-7-10(12-13)6-3-4-8-11/h4-5,8-10H,3,6-7H2,1-2H3/b8-4-
InChIKeyINSYPLPELWPPEJ-YWEYNIOJSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.80
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 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline?
The IUPAC name of 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline (CID 101161632) is 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline.
What is the SMILES notation for 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline?
The canonical SMILES for 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline is C[Si]1(C)C=CCC(CC/C=C\I)O1.
What is the InChIKey of 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline?
The InChIKey is INSYPLPELWPPEJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H17IOSi/c1-13(2)9-5-7-10(12-13)6-3-4-8-11/h4-5,8-10H,3,6-7H2,1-2H3/b8-4-.
What are the key properties of 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline?
6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline has a molecular weight of 308.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline is sourced from PubChem (CID 101161632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).