1-chloro-3,4,4-trimethylpent-2-ene

C8H15Cl — CID 72732066

IUPAC1-chloro-3,4,4-trimethylpent-2-ene
SMILESCC(=CCCl)C(C)(C)C
InChIInChI=1S/C8H15Cl/c1-7(5-6-9)8(2,3)4/h5H,6H2,1-4H3
InChIKeyZNCAMPGYMZMZDE-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.22
Rot. Bonds1

About 1-chloro-3,4,4-trimethylpent-2-ene

1-chloro-3,4,4-trimethylpent-2-ene (PubChem CID 72732066) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-chloro-3,4,4-trimethylpent-2-ene.

Molecular Properties

Compound Name1-chloro-3,4,4-trimethylpent-2-ene
PubChem CID72732066
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-chloro-3,4,4-trimethylpent-2-ene
SMILESCC(=CCCl)C(C)(C)C
InChIInChI=1S/C8H15Cl/c1-7(5-6-9)8(2,3)4/h5H,6H2,1-4H3
InChIKeyZNCAMPGYMZMZDE-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,4,4-trimethylpent-2-ene?
The IUPAC name of 1-chloro-3,4,4-trimethylpent-2-ene (CID 72732066) is 1-chloro-3,4,4-trimethylpent-2-ene.
What is the SMILES notation for 1-chloro-3,4,4-trimethylpent-2-ene?
The canonical SMILES for 1-chloro-3,4,4-trimethylpent-2-ene is CC(=CCCl)C(C)(C)C.
What is the InChIKey of 1-chloro-3,4,4-trimethylpent-2-ene?
The InChIKey is ZNCAMPGYMZMZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-7(5-6-9)8(2,3)4/h5H,6H2,1-4H3.
What are the key properties of 1-chloro-3,4,4-trimethylpent-2-ene?
1-chloro-3,4,4-trimethylpent-2-ene has a molecular weight of 146.66 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,4,4-trimethylpent-2-ene is sourced from PubChem (CID 72732066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).