6,7-dibromo-2,4-dimethylheptan-1-ol

C9H18Br2O — CID 18921063

IUPAC6,7-dibromo-2,4-dimethylheptan-1-ol
SMILESCC(CO)CC(C)CC(Br)CBr
InChIInChI=1S/C9H18Br2O/c1-7(3-8(2)6-12)4-9(11)5-10/h7-9,12H,3-6H2,1-2H3
InChIKeyRKUNWZONXNWCEQ-UHFFFAOYSA-N
MW302.05 g/mol
LogP3.19
Rot. Bonds6

About 6,7-dibromo-2,4-dimethylheptan-1-ol

6,7-dibromo-2,4-dimethylheptan-1-ol (PubChem CID 18921063) has the molecular formula C9H18Br2O and a molecular weight of 302.05 g/mol. Its IUPAC name is 6,7-dibromo-2,4-dimethylheptan-1-ol.

Molecular Properties

Compound Name6,7-dibromo-2,4-dimethylheptan-1-ol
PubChem CID18921063
Molecular FormulaC9H18Br2O
Molecular Weight302.05 g/mol
Exact Mass299.97
IUPAC Name6,7-dibromo-2,4-dimethylheptan-1-ol
SMILESCC(CO)CC(C)CC(Br)CBr
InChIInChI=1S/C9H18Br2O/c1-7(3-8(2)6-12)4-9(11)5-10/h7-9,12H,3-6H2,1-2H3
InChIKeyRKUNWZONXNWCEQ-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.05
LogP ≤ 53.19
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

2,4-dimethylpentane-1,5-diol
CID 10964552
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
5-bromo-2-methylpentane-1,4-diol
CID 57216025
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
ethane;2-methylpropane-1,3-diol
CID 87127502
6-bromo-2,5-dimethylhexan-1-ol
CID 21319862
2,4,6,8-tetramethyldecane-1,8-diol
CID 87893087
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
CID 129322484
2,4-dimethylheptane-1,7-diol
CID 175358767
(2R)-2-bromopropan-1-ol
CID 12579096
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
2-amino-4-methylpentane-1,5-diol
CID 72526972

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-2,4-dimethylheptan-1-ol?
The IUPAC name of 6,7-dibromo-2,4-dimethylheptan-1-ol (CID 18921063) is 6,7-dibromo-2,4-dimethylheptan-1-ol.
What is the SMILES notation for 6,7-dibromo-2,4-dimethylheptan-1-ol?
The canonical SMILES for 6,7-dibromo-2,4-dimethylheptan-1-ol is CC(CO)CC(C)CC(Br)CBr.
What is the InChIKey of 6,7-dibromo-2,4-dimethylheptan-1-ol?
The InChIKey is RKUNWZONXNWCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br2O/c1-7(3-8(2)6-12)4-9(11)5-10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 6,7-dibromo-2,4-dimethylheptan-1-ol?
6,7-dibromo-2,4-dimethylheptan-1-ol has a molecular weight of 302.05 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-2,4-dimethylheptan-1-ol is sourced from PubChem (CID 18921063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).