5-chloro-2,5-dimethylhex-2-ene

C8H15Cl — CID 22239114

IUPAC5-chloro-2,5-dimethylhex-2-ene
SMILESCC(C)=CCC(C)(C)Cl
InChIInChI=1S/C8H15Cl/c1-7(2)5-6-8(3,4)9/h5H,6H2,1-4H3
InChIKeyNOAUMWXRBCAHMX-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-2,5-dimethylhex-2-ene

5-chloro-2,5-dimethylhex-2-ene (PubChem CID 22239114) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 5-chloro-2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name5-chloro-2,5-dimethylhex-2-ene
PubChem CID22239114
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name5-chloro-2,5-dimethylhex-2-ene
SMILESCC(C)=CCC(C)(C)Cl
InChIInChI=1S/C8H15Cl/c1-7(2)5-6-8(3,4)9/h5H,6H2,1-4H3
InChIKeyNOAUMWXRBCAHMX-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.36
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

6-Chloro-2,6-dimethylhept-2-ene
CID 550291
1-Chloro-4,5-dimethylhex-3-ene
CID 76225807
2-Chloromyrcene
CID 23247410
4-Octene, 4-chloro-, (Z)-
CID 5463484
(E)-4-Chloro-4-octene
CID 12500609
1-Chloro-2,6-dimethyl-2,5-heptadiene
CID 53979908
1-Chlor-p-xylol
CID 70269675
4-Chloro-2-methyl-2-hexene
CID 129921521
1-Chloro-2-(chloromethyl)-5-methylhex-2-ene
CID 85707988
6-Chloro-2,5-dimethylhexa-1,4-diene
CID 91415088
1-Chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
CID 134888268
(4Z)-5-chloro-4-ethylhepta-1,4-diene
CID 134933323

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,5-dimethylhex-2-ene?
The IUPAC name of 5-chloro-2,5-dimethylhex-2-ene (CID 22239114) is 5-chloro-2,5-dimethylhex-2-ene.
What is the SMILES notation for 5-chloro-2,5-dimethylhex-2-ene?
The canonical SMILES for 5-chloro-2,5-dimethylhex-2-ene is CC(C)=CCC(C)(C)Cl.
What is the InChIKey of 5-chloro-2,5-dimethylhex-2-ene?
The InChIKey is NOAUMWXRBCAHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-7(2)5-6-8(3,4)9/h5H,6H2,1-4H3.
What are the key properties of 5-chloro-2,5-dimethylhex-2-ene?
5-chloro-2,5-dimethylhex-2-ene has a molecular weight of 146.66 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,5-dimethylhex-2-ene is sourced from PubChem (CID 22239114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).