6-chloro-2,5,5,6-tetramethylhept-2-ene

C11H21Cl — CID 14367915

IUPAC6-chloro-2,5,5,6-tetramethylhept-2-ene
SMILESCC(C)=CCC(C)(C)C(C)(C)Cl
InChIInChI=1S/C11H21Cl/c1-9(2)7-8-10(3,4)11(5,6)12/h7H,8H2,1-6H3
InChIKeyFOZHMJYWQBILCX-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.39
Rot. Bonds3

About 6-chloro-2,5,5,6-tetramethylhept-2-ene

6-chloro-2,5,5,6-tetramethylhept-2-ene (PubChem CID 14367915) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 6-chloro-2,5,5,6-tetramethylhept-2-ene.

Molecular Properties

Compound Name6-chloro-2,5,5,6-tetramethylhept-2-ene
PubChem CID14367915
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name6-chloro-2,5,5,6-tetramethylhept-2-ene
SMILESCC(C)=CCC(C)(C)C(C)(C)Cl
InChIInChI=1S/C11H21Cl/c1-9(2)7-8-10(3,4)11(5,6)12/h7H,8H2,1-6H3
InChIKeyFOZHMJYWQBILCX-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.39
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

1,6-Octadiene, 3-chloro-3,7-dimethyl-
CID 101693
6-Chloro-2,6-dimethylhept-2-ene
CID 550291
6-Chloro-4,5,6-trimethyl-2-heptene
CID 85595503
4-Tert-butyl-1-chlorocyclohexene
CID 11355769
5-Dimethylchlorocyclohexene
CID 12668510
5-Ethyl-3,5,6,6-tetramethyl-hept-3-ene
CID 129656686
6-Chloro-2,6,7,7-tetramethyloct-2-ene
CID 13113735
6-Chloro-2,4,6-trimethylhept-2-ene
CID 13291555
6-Chloro-2,6-dimethyloct-2-ene
CID 14367913
6-Chloro-2,6-dimethylnon-2-ene
CID 15140241
6-Chloro-2,6,7-trimethyloct-2-ene
CID 170848975
7-Chloro-2,6,7-trimethyloct-2-ene
CID 170849035

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5,5,6-tetramethylhept-2-ene?
The IUPAC name of 6-chloro-2,5,5,6-tetramethylhept-2-ene (CID 14367915) is 6-chloro-2,5,5,6-tetramethylhept-2-ene.
What is the SMILES notation for 6-chloro-2,5,5,6-tetramethylhept-2-ene?
The canonical SMILES for 6-chloro-2,5,5,6-tetramethylhept-2-ene is CC(C)=CCC(C)(C)C(C)(C)Cl.
What is the InChIKey of 6-chloro-2,5,5,6-tetramethylhept-2-ene?
The InChIKey is FOZHMJYWQBILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-9(2)7-8-10(3,4)11(5,6)12/h7H,8H2,1-6H3.
What are the key properties of 6-chloro-2,5,5,6-tetramethylhept-2-ene?
6-chloro-2,5,5,6-tetramethylhept-2-ene has a molecular weight of 188.74 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5,5,6-tetramethylhept-2-ene is sourced from PubChem (CID 14367915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).