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

C8H15Cl — CID 85438194

IUPAC1-chloro-5,5-dimethylhex-2-ene
SMILESCC(C)(C)CC=CCCl
InChIInChI=1S/C8H15Cl/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3
InChIKeyFEHYLKNCXQWGTF-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.22
Rot. Bonds2

About 1-chloro-5,5-dimethylhex-2-ene

1-chloro-5,5-dimethylhex-2-ene (PubChem CID 85438194) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-chloro-5,5-dimethylhex-2-ene.

Molecular Properties

Compound Name1-chloro-5,5-dimethylhex-2-ene
PubChem CID85438194
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-chloro-5,5-dimethylhex-2-ene
SMILESCC(C)(C)CC=CCCl
InChIInChI=1S/C8H15Cl/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3
InChIKeyFEHYLKNCXQWGTF-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-Chloro-5,5,7,7-tetramethyl-2-octene
CID 135970
(e)-1-Chloro-4,4-dimethyl-2-pentene
CID 12426003
2-Octene, 1-chloro-5,5,7,7-tetramethyl-
CID 5462856
1-Chloro-5,5-dimethyl-2-hexene
CID 12328796
(5E)-7-chloro-3,3,5-trimethylhepta-1,5-diene
CID 14550400
(E)-1-chloro-3,4,4-trimethylpent-2-ene
CID 14510618
3,4,4-Trimethyl-1-chloro-2-pentene
CID 72732066
(E)-5-chloro-2,2-dimethylhex-3-ene
CID 101848106
1-Chloro-5-ethyl-5-methyl-2-heptene
CID 129658568
1-Chloro-5,5-diethyl-2-heptene
CID 129658661
(z)-1-Chloro-4,4-dimethyl-2-pentene
CID 129658701
3-Chloro-5,5-dimethyl-1,3-heptadiene
CID 129659205

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,5-dimethylhex-2-ene?
The IUPAC name of 1-chloro-5,5-dimethylhex-2-ene (CID 85438194) is 1-chloro-5,5-dimethylhex-2-ene.
What is the SMILES notation for 1-chloro-5,5-dimethylhex-2-ene?
The canonical SMILES for 1-chloro-5,5-dimethylhex-2-ene is CC(C)(C)CC=CCCl.
What is the InChIKey of 1-chloro-5,5-dimethylhex-2-ene?
The InChIKey is FEHYLKNCXQWGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-chloro-5,5-dimethylhex-2-ene?
1-chloro-5,5-dimethylhex-2-ene has a molecular weight of 146.66 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,5-dimethylhex-2-ene is sourced from PubChem (CID 85438194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).