(6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene

C10H15Br2Cl — CID 163070156

IUPAC(6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene
SMILESCC(C)=CCC/C(=C\Cl)[C@H](Br)CBr
InChIInChI=1S/C10H15Br2Cl/c1-8(2)4-3-5-9(7-13)10(12)6-11/h4,7,10H,3,5-6H2,1-2H3/b9-7+/t10-/m1/s1
InChIKeyLNVFGGWIKMGIQK-TTZKWOQHSA-N
MW330.49 g/mol
LogP5.01
Rot. Bonds5

About (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene

(6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene (PubChem CID 163070156) has the molecular formula C10H15Br2Cl and a molecular weight of 330.49 g/mol. Its IUPAC name is (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene.

Molecular Properties

Compound Name(6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene
PubChem CID163070156
Molecular FormulaC10H15Br2Cl
Molecular Weight330.49 g/mol
Exact Mass327.92
IUPAC Name(6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene
SMILESCC(C)=CCC/C(=C\Cl)[C@H](Br)CBr
InChIInChI=1S/C10H15Br2Cl/c1-8(2)4-3-5-9(7-13)10(12)6-11/h4,7,10H,3,5-6H2,1-2H3/b9-7+/t10-/m1/s1
InChIKeyLNVFGGWIKMGIQK-TTZKWOQHSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 55.01
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'}

Analyze (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 21630813
(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 23427000
(3S,5S,E)-3,5-Dibromo-8-chloro-2,6-dimethyl-1,6-octadiene
CID 21630815
8-Bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 71404228
1,7-Dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 74052094
(3S,5E,7S)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 162877030
(3R,5E,7S)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 162877031
(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene
CID 162957214
1,1-Dichloro-3,7-dimethyl-4,6-dibromo-2,7-octadiene
CID 11326011
(E,2R,6R,7S)-1,1,7-tribromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 21630859
(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 162889885
(2E,4R,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 162889886

Frequently Asked Questions

What is the IUPAC name of (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene?
The IUPAC name of (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene (CID 163070156) is (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene.
What is the SMILES notation for (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene?
The canonical SMILES for (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene is CC(C)=CCC/C(=C\Cl)[C@H](Br)CBr.
What is the InChIKey of (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene?
The InChIKey is LNVFGGWIKMGIQK-TTZKWOQHSA-N. The full InChI is InChI=1S/C10H15Br2Cl/c1-8(2)4-3-5-9(7-13)10(12)6-11/h4,7,10H,3,5-6H2,1-2H3/b9-7+/t10-/m1/s1.
What are the key properties of (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene?
(6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene has a molecular weight of 330.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene is sourced from PubChem (CID 163070156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).