2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene

C16H30Cl2 — CID 88686201

IUPAC2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene
SMILESC=C(C)CCC(=C)C.CC(C)(Cl)CCC(C)(C)Cl
InChIInChI=1S/C8H16Cl2.C8H14/c1-7(2,9)5-6-8(3,4)10;1-7(2)5-6-8(3)4/h5-6H2,1-4H3;1,3,5-6H2,2,4H3
InChIKeyHJIUBZVINRZDHI-UHFFFAOYSA-N
MW293.32 g/mol
LogP6.72
Rot. Bonds6

About 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene

2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene (PubChem CID 88686201) has the molecular formula C16H30Cl2 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene.

Molecular Properties

Compound Name2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene
PubChem CID88686201
Molecular FormulaC16H30Cl2
Molecular Weight293.32 g/mol
Exact Mass292.17
IUPAC Name2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene
SMILESC=C(C)CCC(=C)C.CC(C)(Cl)CCC(C)(C)Cl
InChIInChI=1S/C8H16Cl2.C8H14/c1-7(2,9)5-6-8(3,4)10;1-7(2)5-6-8(3)4/h5-6H2,1-4H3;1,3,5-6H2,2,4H3
InChIKeyHJIUBZVINRZDHI-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 56.72
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

dichloroplatinum;2,5-dimethylhexa-1,5-diene
CID 161462927
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CID 130178475
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CID 91474850
2,10-dimethylundec-10-en-2-ol
CID 170848213
2-(dimethylamino)-2,6-dimethylhept-6-en-3-one
CID 114473625
1-amino-2,2,6-trimethylhept-6-en-3-one
CID 114478039
2-ethyl-2,5-dimethylhex-5-enenitrile
CID 130513627
5-hydroperoxy-5-methoxy-2-methylhex-1-ene
CID 10487175
2,5,5-trimethylnona-1,8-diene
CID 59085403
methyl 2-acetyl-2-chloro-5-methylhex-5-enoate
CID 71411876
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene?
The IUPAC name of 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene (CID 88686201) is 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene.
What is the SMILES notation for 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene?
The canonical SMILES for 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene is C=C(C)CCC(=C)C.CC(C)(Cl)CCC(C)(C)Cl.
What is the InChIKey of 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene?
The InChIKey is HJIUBZVINRZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2.C8H14/c1-7(2,9)5-6-8(3,4)10;1-7(2)5-6-8(3)4/h5-6H2,1-4H3;1,3,5-6H2,2,4H3.
What are the key properties of 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene?
2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene has a molecular weight of 293.32 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene is sourced from PubChem (CID 88686201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).