(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene

C20H38Br2 — CID 131736485

IUPAC(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
SMILESCC(C)=CCCC(C)CCBr.CC(C)=CCC[C@H](C)CCBr
InChIInChI=1S/2C10H19Br/c2*1-9(2)5-4-6-10(3)7-8-11/h2*5,10H,4,6-8H2,1-3H3/t10-;/m0./s1
InChIKeyCDPZKOICLWVLEL-PPHPATTJSA-N
MW438.33 g/mol
LogP8.31
Rot. Bonds10

About (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene

(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene (PubChem CID 131736485) has the molecular formula C20H38Br2 and a molecular weight of 438.33 g/mol. Its IUPAC name is (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
PubChem CID131736485
Molecular FormulaC20H38Br2
Molecular Weight438.33 g/mol
Exact Mass436.13
IUPAC Name(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
SMILESCC(C)=CCCC(C)CCBr.CC(C)=CCC[C@H](C)CCBr
InChIInChI=1S/2C10H19Br/c2*1-9(2)5-4-6-10(3)7-8-11/h2*5,10H,4,6-8H2,1-3H3/t10-;/m0./s1
InChIKeyCDPZKOICLWVLEL-PPHPATTJSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
5,9-dimethyldeca-1,8-diene
CID 12578605
2,6,10-trimethylundec-2-ene
CID 14805750
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(6S)-2,6-dimethyl-8-methylselanyloct-2-ene
CID 101158479
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
magnesium;(6S)-2,6-dimethyloct-2-ene;chloride
CID 164665719
N,2,6-trimethylhept-5-en-1-amine
CID 146817482
(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
CID 134982878
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264

Frequently Asked Questions

What is the IUPAC name of (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene?
The IUPAC name of (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene (CID 131736485) is (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene?
The canonical SMILES for (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene is CC(C)=CCCC(C)CCBr.CC(C)=CCC[C@H](C)CCBr.
What is the InChIKey of (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene?
The InChIKey is CDPZKOICLWVLEL-PPHPATTJSA-N. The full InChI is InChI=1S/2C10H19Br/c2*1-9(2)5-4-6-10(3)7-8-11/h2*5,10H,4,6-8H2,1-3H3/t10-;/m0./s1.
What are the key properties of (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene?
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene has a molecular weight of 438.33 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene is sourced from PubChem (CID 131736485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).