4-(bromomethyl)-5,5-dimethylhexan-1-ol

C9H19BrO — CID 10466143

IUPAC4-(bromomethyl)-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)C(CBr)CCCO
InChIInChI=1S/C9H19BrO/c1-9(2,3)8(7-10)5-4-6-11/h8,11H,4-7H2,1-3H3
InChIKeyWEDUTNSXKFNXMG-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.82
Rot. Bonds4

About 4-(bromomethyl)-5,5-dimethylhexan-1-ol

4-(bromomethyl)-5,5-dimethylhexan-1-ol (PubChem CID 10466143) has the molecular formula C9H19BrO and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-(bromomethyl)-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name4-(bromomethyl)-5,5-dimethylhexan-1-ol
PubChem CID10466143
Molecular FormulaC9H19BrO
Molecular Weight223.15 g/mol
Exact Mass222.06
IUPAC Name4-(bromomethyl)-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)C(CBr)CCCO
InChIInChI=1S/C9H19BrO/c1-9(2,3)8(7-10)5-4-6-11/h8,11H,4-7H2,1-3H3
InChIKeyWEDUTNSXKFNXMG-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyloctane-1,7-diol
CID 156632523
6-(bromomethyl)-7,7-dimethyloct-1-ene
CID 165446936
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CID 83143081
6-tert-butylundecane
CID 90714582
butane-1,4-diol;2,2-dimethylpropane-1,1-diol
CID 141408559
5-amino-2-tert-butylpentan-1-ol
CID 59516739
9-tert-butylhenicosane
CID 150708915
6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol
CID 59689373
6-(2-hydroxyethyl)-7,7-dimethyloctanoic acid
CID 174764133
3-ethyl-2,2-dimethylheptane
CID 20686447
9-tert-butyl-14-octyldocosane
CID 166495626
3,4-ditert-butylhexane-1,6-diol
CID 174460247

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5,5-dimethylhexan-1-ol?
The IUPAC name of 4-(bromomethyl)-5,5-dimethylhexan-1-ol (CID 10466143) is 4-(bromomethyl)-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 4-(bromomethyl)-5,5-dimethylhexan-1-ol?
The canonical SMILES for 4-(bromomethyl)-5,5-dimethylhexan-1-ol is CC(C)(C)C(CBr)CCCO.
What is the InChIKey of 4-(bromomethyl)-5,5-dimethylhexan-1-ol?
The InChIKey is WEDUTNSXKFNXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO/c1-9(2,3)8(7-10)5-4-6-11/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-(bromomethyl)-5,5-dimethylhexan-1-ol?
4-(bromomethyl)-5,5-dimethylhexan-1-ol has a molecular weight of 223.15 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 10466143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).