4-(bromomethyl)-1-pent-4-enylsilinane

C11H21BrSi — CID 54027808

IUPAC4-(bromomethyl)-1-pent-4-enylsilinane
SMILESC=CCCC[SiH]1CCC(CBr)CC1
InChIInChI=1S/C11H21BrSi/c1-2-3-4-7-13-8-5-11(10-12)6-9-13/h2,11,13H,1,3-10H2
InChIKeyLDLNHLJKQSYIBA-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.98
Rot. Bonds5

About 4-(bromomethyl)-1-pent-4-enylsilinane

4-(bromomethyl)-1-pent-4-enylsilinane (PubChem CID 54027808) has the molecular formula C11H21BrSi and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(bromomethyl)-1-pent-4-enylsilinane.

Molecular Properties

Compound Name4-(bromomethyl)-1-pent-4-enylsilinane
PubChem CID54027808
Molecular FormulaC11H21BrSi
Molecular Weight261.28 g/mol
Exact Mass260.06
IUPAC Name4-(bromomethyl)-1-pent-4-enylsilinane
SMILESC=CCCC[SiH]1CCC(CBr)CC1
InChIInChI=1S/C11H21BrSi/c1-2-3-4-7-13-8-5-11(10-12)6-9-13/h2,11,13H,1,3-10H2
InChIKeyLDLNHLJKQSYIBA-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-pent-4-enylsilinane?
The IUPAC name of 4-(bromomethyl)-1-pent-4-enylsilinane (CID 54027808) is 4-(bromomethyl)-1-pent-4-enylsilinane.
What is the SMILES notation for 4-(bromomethyl)-1-pent-4-enylsilinane?
The canonical SMILES for 4-(bromomethyl)-1-pent-4-enylsilinane is C=CCCC[SiH]1CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1-pent-4-enylsilinane?
The InChIKey is LDLNHLJKQSYIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrSi/c1-2-3-4-7-13-8-5-11(10-12)6-9-13/h2,11,13H,1,3-10H2.
What are the key properties of 4-(bromomethyl)-1-pent-4-enylsilinane?
4-(bromomethyl)-1-pent-4-enylsilinane has a molecular weight of 261.28 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-pent-4-enylsilinane is sourced from PubChem (CID 54027808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).