6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane

C15H20BrClOSi — CID 91603716

IUPAC6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane
SMILESC[Si](C)(C)Cl.Cc1c2ccc(Br)ccc-2c(C)c1O
InChIInChI=1S/C12H11BrO.C3H9ClSi/c1-7-10-5-3-9(13)4-6-11(10)8(2)12(7)14;1-5(2,3)4/h3-6,14H,1-2H3;1-3H3
InChIKeyQKMLRJQKNNFFBV-UHFFFAOYSA-N
MW359.77 g/mol
LogP5.94
Rot. Bonds

About 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane

6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane (PubChem CID 91603716) has the molecular formula C15H20BrClOSi and a molecular weight of 359.77 g/mol. Its IUPAC name is 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane.

Molecular Properties

Compound Name6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane
PubChem CID91603716
Molecular FormulaC15H20BrClOSi
Molecular Weight359.77 g/mol
Exact Mass358.02
IUPAC Name6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane
SMILESC[Si](C)(C)Cl.Cc1c2ccc(Br)ccc-2c(C)c1O
InChIInChI=1S/C12H11BrO.C3H9ClSi/c1-7-10-5-3-9(13)4-6-11(10)8(2)12(7)14;1-5(2,3)4/h3-6,14H,1-2H3;1-3H3
InChIKeyQKMLRJQKNNFFBV-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.77
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane?
The IUPAC name of 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane (CID 91603716) is 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane.
What is the SMILES notation for 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane?
The canonical SMILES for 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane is C[Si](C)(C)Cl.Cc1c2ccc(Br)ccc-2c(C)c1O.
What is the InChIKey of 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane?
The InChIKey is QKMLRJQKNNFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO.C3H9ClSi/c1-7-10-5-3-9(13)4-6-11(10)8(2)12(7)14;1-5(2,3)4/h3-6,14H,1-2H3;1-3H3.
What are the key properties of 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane?
6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane has a molecular weight of 359.77 g/mol, XLogP of 5.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane is sourced from PubChem (CID 91603716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).