[5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane

C12H21BrSi — CID 173289236

IUPAC[5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane
SMILESC=CCC(CBr)C([SiH3])(CC=C)CC=C
InChIInChI=1S/C12H21BrSi/c1-4-7-11(10-13)12(14,8-5-2)9-6-3/h4-6,11H,1-3,7-10H2,14H3
InChIKeyBKFMPIQYSQYZJT-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.25
Rot. Bonds8

About [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane

[5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane (PubChem CID 173289236) has the molecular formula C12H21BrSi and a molecular weight of 273.29 g/mol. Its IUPAC name is [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane.

Molecular Properties

Compound Name[5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane
PubChem CID173289236
Molecular FormulaC12H21BrSi
Molecular Weight273.29 g/mol
Exact Mass272.06
IUPAC Name[5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane
SMILESC=CCC(CBr)C([SiH3])(CC=C)CC=C
InChIInChI=1S/C12H21BrSi/c1-4-7-11(10-13)12(14,8-5-2)9-6-3/h4-6,11H,1-3,7-10H2,14H3
InChIKeyBKFMPIQYSQYZJT-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane?
The IUPAC name of [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane (CID 173289236) is [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane.
What is the SMILES notation for [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane?
The canonical SMILES for [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane is C=CCC(CBr)C([SiH3])(CC=C)CC=C.
What is the InChIKey of [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane?
The InChIKey is BKFMPIQYSQYZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrSi/c1-4-7-11(10-13)12(14,8-5-2)9-6-3/h4-6,11H,1-3,7-10H2,14H3.
What are the key properties of [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane?
[5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane has a molecular weight of 273.29 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(bromomethyl)-4-prop-2-enylocta-1,7-dien-4-yl]silane is sourced from PubChem (CID 173289236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).