1-bromo-1-dodecylsilinane

C17H35BrSi — CID 174630456

IUPAC1-bromo-1-dodecylsilinane
SMILESCCCCCCCCCCCC[Si]1(Br)CCCCC1
InChIInChI=1S/C17H35BrSi/c1-2-3-4-5-6-7-8-9-10-12-15-19(18)16-13-11-14-17-19/h2-17H2,1H3
InChIKeyUVVRXTZTRRPMEB-UHFFFAOYSA-N
MW347.46 g/mol
LogP7.43
Rot. Bonds11

About 1-bromo-1-dodecylsilinane

1-bromo-1-dodecylsilinane (PubChem CID 174630456) has the molecular formula C17H35BrSi and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-bromo-1-dodecylsilinane.

Molecular Properties

Compound Name1-bromo-1-dodecylsilinane
PubChem CID174630456
Molecular FormulaC17H35BrSi
Molecular Weight347.46 g/mol
Exact Mass346.17
IUPAC Name1-bromo-1-dodecylsilinane
SMILESCCCCCCCCCCCC[Si]1(Br)CCCCC1
InChIInChI=1S/C17H35BrSi/c1-2-3-4-5-6-7-8-9-10-12-15-19(18)16-13-11-14-17-19/h2-17H2,1H3
InChIKeyUVVRXTZTRRPMEB-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-dodecylsilinane?
The IUPAC name of 1-bromo-1-dodecylsilinane (CID 174630456) is 1-bromo-1-dodecylsilinane.
What is the SMILES notation for 1-bromo-1-dodecylsilinane?
The canonical SMILES for 1-bromo-1-dodecylsilinane is CCCCCCCCCCCC[Si]1(Br)CCCCC1.
What is the InChIKey of 1-bromo-1-dodecylsilinane?
The InChIKey is UVVRXTZTRRPMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35BrSi/c1-2-3-4-5-6-7-8-9-10-12-15-19(18)16-13-11-14-17-19/h2-17H2,1H3.
What are the key properties of 1-bromo-1-dodecylsilinane?
1-bromo-1-dodecylsilinane has a molecular weight of 347.46 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-dodecylsilinane is sourced from PubChem (CID 174630456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).