9-bromo-2-methylnonan-2-ol

C10H21BrO — CID 139625731

IUPAC9-bromo-2-methylnonan-2-ol
SMILESCC(C)(O)CCCCCCCBr
InChIInChI=1S/C10H21BrO/c1-10(2,12)8-6-4-3-5-7-9-11/h12H,3-9H2,1-2H3
InChIKeyOLSJSPWWEUROAG-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.49
Rot. Bonds7

About 9-bromo-2-methylnonan-2-ol

9-bromo-2-methylnonan-2-ol (PubChem CID 139625731) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 9-bromo-2-methylnonan-2-ol.

Molecular Properties

Compound Name9-bromo-2-methylnonan-2-ol
PubChem CID139625731
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name9-bromo-2-methylnonan-2-ol
SMILESCC(C)(O)CCCCCCCBr
InChIInChI=1S/C10H21BrO/c1-10(2,12)8-6-4-3-5-7-9-11/h12H,3-9H2,1-2H3
InChIKeyOLSJSPWWEUROAG-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-methylnonan-2-ol?
The IUPAC name of 9-bromo-2-methylnonan-2-ol (CID 139625731) is 9-bromo-2-methylnonan-2-ol.
What is the SMILES notation for 9-bromo-2-methylnonan-2-ol?
The canonical SMILES for 9-bromo-2-methylnonan-2-ol is CC(C)(O)CCCCCCCBr.
What is the InChIKey of 9-bromo-2-methylnonan-2-ol?
The InChIKey is OLSJSPWWEUROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-10(2,12)8-6-4-3-5-7-9-11/h12H,3-9H2,1-2H3.
What are the key properties of 9-bromo-2-methylnonan-2-ol?
9-bromo-2-methylnonan-2-ol has a molecular weight of 237.18 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-methylnonan-2-ol is sourced from PubChem (CID 139625731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).