(2S,3S)-2,3-dibromo-4-methylpentane

C6H12Br2 — CID 98119874

IUPAC(2S,3S)-2,3-dibromo-4-methylpentane
SMILESCC(C)[C@H](Br)[C@H](C)Br
InChIInChI=1S/C6H12Br2/c1-4(2)6(8)5(3)7/h4-6H,1-3H3/t5-,6-/m0/s1
InChIKeyBLKGASDZOMDLNX-WDSKDSINSA-N
MW243.97 g/mol
LogP3.19
Rot. Bonds2

About (2S,3S)-2,3-dibromo-4-methylpentane

(2S,3S)-2,3-dibromo-4-methylpentane (PubChem CID 98119874) has the molecular formula C6H12Br2 and a molecular weight of 243.97 g/mol. Its IUPAC name is (2S,3S)-2,3-dibromo-4-methylpentane.

Molecular Properties

Compound Name(2S,3S)-2,3-dibromo-4-methylpentane
PubChem CID98119874
Molecular FormulaC6H12Br2
Molecular Weight243.97 g/mol
Exact Mass241.93
IUPAC Name(2S,3S)-2,3-dibromo-4-methylpentane
SMILESCC(C)[C@H](Br)[C@H](C)Br
InChIInChI=1S/C6H12Br2/c1-4(2)6(8)5(3)7/h4-6H,1-3H3/t5-,6-/m0/s1
InChIKeyBLKGASDZOMDLNX-WDSKDSINSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.97
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2S,3S)-2,3-dibromo-4-methylpentane?
The IUPAC name of (2S,3S)-2,3-dibromo-4-methylpentane (CID 98119874) is (2S,3S)-2,3-dibromo-4-methylpentane.
What is the SMILES notation for (2S,3S)-2,3-dibromo-4-methylpentane?
The canonical SMILES for (2S,3S)-2,3-dibromo-4-methylpentane is CC(C)[C@H](Br)[C@H](C)Br.
What is the InChIKey of (2S,3S)-2,3-dibromo-4-methylpentane?
The InChIKey is BLKGASDZOMDLNX-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12Br2/c1-4(2)6(8)5(3)7/h4-6H,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2,3-dibromo-4-methylpentane?
(2S,3S)-2,3-dibromo-4-methylpentane has a molecular weight of 243.97 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dibromo-4-methylpentane is sourced from PubChem (CID 98119874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).