6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol

C13H23BrOSi — CID 67437591

IUPAC6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)C1(CBr)C=CC=CC1O
InChIInChI=1S/C13H23BrOSi/c1-12(2,3)16(4,5)13(10-14)9-7-6-8-11(13)15/h6-9,11,15H,10H2,1-5H3
InChIKeySHVMZLIWJVWDKA-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.12
Rot. Bonds2

About 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol

6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol (PubChem CID 67437591) has the molecular formula C13H23BrOSi and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol
PubChem CID67437591
Molecular FormulaC13H23BrOSi
Molecular Weight303.32 g/mol
Exact Mass302.07
IUPAC Name6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)C1(CBr)C=CC=CC1O
InChIInChI=1S/C13H23BrOSi/c1-12(2,3)16(4,5)13(10-14)9-7-6-8-11(13)15/h6-9,11,15H,10H2,1-5H3
InChIKeySHVMZLIWJVWDKA-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol (CID 67437591) is 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol is CC(C)(C)[Si](C)(C)C1(CBr)C=CC=CC1O.
What is the InChIKey of 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is SHVMZLIWJVWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrOSi/c1-12(2,3)16(4,5)13(10-14)9-7-6-8-11(13)15/h6-9,11,15H,10H2,1-5H3.
What are the key properties of 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol?
6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 303.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67437591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).