(6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene

C10H15Br2Cl — CID 162896224

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

About (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene

(6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene (PubChem CID 162896224) has the molecular formula C10H15Br2Cl and a molecular weight of 330.49 g/mol. Its IUPAC name is (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene.

Molecular Properties

Compound Name(6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene
PubChem CID162896224
Molecular FormulaC10H15Br2Cl
Molecular Weight330.49 g/mol
Exact Mass327.92
IUPAC Name(6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene
SMILESCC(C)=CCC/C(=C\Br)[C@H](Br)CCl
InChIInChI=1S/C10H15Br2Cl/c1-8(2)4-3-5-9(6-11)10(12)7-13/h4,6,10H,3,5,7H2,1-2H3/b9-6+/t10-/m1/s1
InChIKeyYCQKYQNYHDUXDH-OLKPEBQYSA-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'}

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Related Compounds

Halogenated monoterpenes
CID 11493622
(E)-(2S,5S,6S,7S)-1,5,7-Tribromo-2,6,8-trichloro-2,6-dimethyl-oct-3-ene
CID 6475607
(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
Plocoralide A
CID 21778151
1,1-Dichloro-3,7-dimethyl-4,6-dibromo-2,7-octadiene
CID 11326011

Frequently Asked Questions

What is the IUPAC name of (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene?
The IUPAC name of (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene (CID 162896224) is (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene.
What is the SMILES notation for (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene?
The canonical SMILES for (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene is CC(C)=CCC/C(=C\Br)[C@H](Br)CCl.
What is the InChIKey of (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene?
The InChIKey is YCQKYQNYHDUXDH-OLKPEBQYSA-N. The full InChI is InChI=1S/C10H15Br2Cl/c1-8(2)4-3-5-9(6-11)10(12)7-13/h4,6,10H,3,5,7H2,1-2H3/b9-6+/t10-/m1/s1.
What are the key properties of (6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene?
(6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-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-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene is sourced from PubChem (CID 162896224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).