6-bromo-7-methoxy-3,7-dimethyloctan-1-ol

C11H23BrO2 — CID 14058206

IUPAC6-bromo-7-methoxy-3,7-dimethyloctan-1-ol
SMILESCOC(C)(C)C(Br)CCC(C)CCO
InChIInChI=1S/C11H23BrO2/c1-9(7-8-13)5-6-10(12)11(2,3)14-4/h9-10,13H,5-8H2,1-4H3
InChIKeyOWACCBGRROQUGR-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.97
Rot. Bonds7

About 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol

6-bromo-7-methoxy-3,7-dimethyloctan-1-ol (PubChem CID 14058206) has the molecular formula C11H23BrO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol.

Molecular Properties

Compound Name6-bromo-7-methoxy-3,7-dimethyloctan-1-ol
PubChem CID14058206
Molecular FormulaC11H23BrO2
Molecular Weight267.21 g/mol
Exact Mass266.09
IUPAC Name6-bromo-7-methoxy-3,7-dimethyloctan-1-ol
SMILESCOC(C)(C)C(Br)CCC(C)CCO
InChIInChI=1S/C11H23BrO2/c1-9(7-8-13)5-6-10(12)11(2,3)14-4/h9-10,13H,5-8H2,1-4H3
InChIKeyOWACCBGRROQUGR-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol?
The IUPAC name of 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol (CID 14058206) is 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol.
What is the SMILES notation for 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol?
The canonical SMILES for 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol is COC(C)(C)C(Br)CCC(C)CCO.
What is the InChIKey of 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol?
The InChIKey is OWACCBGRROQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO2/c1-9(7-8-13)5-6-10(12)11(2,3)14-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol?
6-bromo-7-methoxy-3,7-dimethyloctan-1-ol has a molecular weight of 267.21 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-3,7-dimethyloctan-1-ol is sourced from PubChem (CID 14058206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).