2,3-dibromoheptan-4-ol

C7H14Br2O — CID 18920995

IUPAC2,3-dibromoheptan-4-ol
SMILESCCCC(O)C(Br)C(C)Br
InChIInChI=1S/C7H14Br2O/c1-3-4-6(10)7(9)5(2)8/h5-7,10H,3-4H2,1-2H3
InChIKeyNVYNTJDZWOIESW-UHFFFAOYSA-N
MW274.00 g/mol
LogP2.69
Rot. Bonds4

About 2,3-dibromoheptan-4-ol

2,3-dibromoheptan-4-ol (PubChem CID 18920995) has the molecular formula C7H14Br2O and a molecular weight of 274.00 g/mol. Its IUPAC name is 2,3-dibromoheptan-4-ol.

Molecular Properties

Compound Name2,3-dibromoheptan-4-ol
PubChem CID18920995
Molecular FormulaC7H14Br2O
Molecular Weight274.00 g/mol
Exact Mass271.94
IUPAC Name2,3-dibromoheptan-4-ol
SMILESCCCC(O)C(Br)C(C)Br
InChIInChI=1S/C7H14Br2O/c1-3-4-6(10)7(9)5(2)8/h5-7,10H,3-4H2,1-2H3
InChIKeyNVYNTJDZWOIESW-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.00
LogP ≤ 52.69
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

(4S,5S)-5-bromooctan-4-ol
CID 101139699
hexane-2,3-diol
CID 159913798
octane-4,5-diol;hydrate
CID 141056272
decane-4,5,6,7-tetrol
CID 73238857
(2S,3S)-2-aminohexan-3-ol
CID 55285025
(2S,3S)-2-bromo-3-hydroxyhexanoic acid
CID 131169369
5-propan-2-yloctan-4-ol
CID 23385171
azane;3-bromohexan-2-ol
CID 174944602
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
(2R)-pentan-2-ol
CID 7014876
3-ethyl-2-methylheptan-4-ol
CID 23384905
2,4-dimethyloctane-3,5-diol
CID 164810304

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromoheptan-4-ol?
The IUPAC name of 2,3-dibromoheptan-4-ol (CID 18920995) is 2,3-dibromoheptan-4-ol.
What is the SMILES notation for 2,3-dibromoheptan-4-ol?
The canonical SMILES for 2,3-dibromoheptan-4-ol is CCCC(O)C(Br)C(C)Br.
What is the InChIKey of 2,3-dibromoheptan-4-ol?
The InChIKey is NVYNTJDZWOIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2O/c1-3-4-6(10)7(9)5(2)8/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2,3-dibromoheptan-4-ol?
2,3-dibromoheptan-4-ol has a molecular weight of 274.00 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromoheptan-4-ol is sourced from PubChem (CID 18920995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).