4-chloro-2,2-dimethylhex-3-ene

C8H15Cl — CID 71390179

IUPAC4-chloro-2,2-dimethylhex-3-ene
SMILESCCC(Cl)=CC(C)(C)C
InChIInChI=1S/C8H15Cl/c1-5-7(9)6-8(2,3)4/h6H,5H2,1-4H3
InChIKeyVSWBEEAZZMLWGA-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.57
Rot. Bonds1

About 4-chloro-2,2-dimethylhex-3-ene

4-chloro-2,2-dimethylhex-3-ene (PubChem CID 71390179) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 4-chloro-2,2-dimethylhex-3-ene.

Molecular Properties

Compound Name4-chloro-2,2-dimethylhex-3-ene
PubChem CID71390179
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name4-chloro-2,2-dimethylhex-3-ene
SMILESCCC(Cl)=CC(C)(C)C
InChIInChI=1S/C8H15Cl/c1-5-7(9)6-8(2,3)4/h6H,5H2,1-4H3
InChIKeyVSWBEEAZZMLWGA-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2-dimethylhex-3-ene?
The IUPAC name of 4-chloro-2,2-dimethylhex-3-ene (CID 71390179) is 4-chloro-2,2-dimethylhex-3-ene.
What is the SMILES notation for 4-chloro-2,2-dimethylhex-3-ene?
The canonical SMILES for 4-chloro-2,2-dimethylhex-3-ene is CCC(Cl)=CC(C)(C)C.
What is the InChIKey of 4-chloro-2,2-dimethylhex-3-ene?
The InChIKey is VSWBEEAZZMLWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-5-7(9)6-8(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 4-chloro-2,2-dimethylhex-3-ene?
4-chloro-2,2-dimethylhex-3-ene has a molecular weight of 146.66 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2-dimethylhex-3-ene is sourced from PubChem (CID 71390179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).