1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc

C20H42Cl2NiZn — CID 157230765

IUPAC1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc
SMILESCC(C)=CCCC(C)CCCl.CC(C)CCCC(C)CCCl.[H][H].[Ni].[Zn]
InChIInChI=1S/C10H21Cl.C10H19Cl.Ni.Zn.H2/c2*1-9(2)5-4-6-10(3)7-8-11;;;/h9-10H,4-8H2,1-3H3;5,10H,4,6-8H2,1-3H3;;;1H
InChIKeyAUBNGUQQIFXPCB-UHFFFAOYSA-N
MW477.55 g/mol
LogP8.32
Rot. Bonds11

About 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc

1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc (PubChem CID 157230765) has the molecular formula C20H42Cl2NiZn and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc.

Molecular Properties

Compound Name1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc
PubChem CID157230765
Molecular FormulaC20H42Cl2NiZn
Molecular Weight477.55 g/mol
Exact Mass474.13
IUPAC Name1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc
SMILESCC(C)=CCCC(C)CCCl.CC(C)CCCC(C)CCCl.[H][H].[Ni].[Zn]
InChIInChI=1S/C10H21Cl.C10H19Cl.Ni.Zn.H2/c2*1-9(2)5-4-6-10(3)7-8-11;;;/h9-10H,4-8H2,1-3H3;5,10H,4,6-8H2,1-3H3;;;1H
InChIKeyAUBNGUQQIFXPCB-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6,10-trimethylundec-2-ene
CID 14805750
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
CID 175745189
CID 175745189
2,6-dimethyl-10-(trideuteriomethyl)dodec-2-ene
CID 11252860
3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
CID 71372083
6,10-dimethylundec-9-en-1-yne
CID 175139097
(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
CID 173253621
CID 173125400
CID 173125400
5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242201

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc?
The IUPAC name of 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc (CID 157230765) is 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc.
What is the SMILES notation for 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc?
The canonical SMILES for 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc is CC(C)=CCCC(C)CCCl.CC(C)CCCC(C)CCCl.[H][H].[Ni].[Zn].
What is the InChIKey of 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc?
The InChIKey is AUBNGUQQIFXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl.C10H19Cl.Ni.Zn.H2/c2*1-9(2)5-4-6-10(3)7-8-11;;;/h9-10H,4-8H2,1-3H3;5,10H,4,6-8H2,1-3H3;;;1H.
What are the key properties of 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc?
1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc has a molecular weight of 477.55 g/mol, XLogP of 8.32, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc is sourced from PubChem (CID 157230765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).