(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol

C10H18BrClO — CID 135080389

IUPAC(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@@](C)(Br)[C@@H](Cl)CO
InChIInChI=1S/C10H18BrClO/c1-8(2)5-4-6-10(3,11)9(12)7-13/h5,9,13H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyJFCCRMODCSQUFB-VHSXEESVSA-N
MW269.61 g/mol
LogP3.49
Rot. Bonds5

About (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol

(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol (PubChem CID 135080389) has the molecular formula C10H18BrClO and a molecular weight of 269.61 g/mol. Its IUPAC name is (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol
PubChem CID135080389
Molecular FormulaC10H18BrClO
Molecular Weight269.61 g/mol
Exact Mass268.02
IUPAC Name(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@@](C)(Br)[C@@H](Cl)CO
InChIInChI=1S/C10H18BrClO/c1-8(2)5-4-6-10(3,11)9(12)7-13/h5,9,13H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyJFCCRMODCSQUFB-VHSXEESVSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(bromomethyl)-2-chloro-6-methylhept-5-en-1-ol
CID 122227355
(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706434
(2S,3S)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 135063657
(E,3S)-3-bromo-7-(chloromethyl)-2-ethyl-3-methylnon-5-en-1-ol
CID 173787948
1-Bromo-1-chloro-4,8-dimethylnon-7-en-2-ol
CID 10989717
(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706401

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol (CID 135080389) is (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol is CC(C)=CCC[C@@](C)(Br)[C@@H](Cl)CO.
What is the InChIKey of (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol?
The InChIKey is JFCCRMODCSQUFB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18BrClO/c1-8(2)5-4-6-10(3,11)9(12)7-13/h5,9,13H,4,6-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol?
(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol has a molecular weight of 269.61 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 135080389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).