5-chloro-3,4-dimethylpenta-1,2-diene

C7H11Cl — CID 55302448

IUPAC5-chloro-3,4-dimethylpenta-1,2-diene
SMILESC=C=C(C)C(C)CCl
InChIInChI=1S/C7H11Cl/c1-4-6(2)7(3)5-8/h7H,1,5H2,2-3H3
InChIKeyQKVMAYATFZFJLU-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.59
Rot. Bonds2

About 5-chloro-3,4-dimethylpenta-1,2-diene

5-chloro-3,4-dimethylpenta-1,2-diene (PubChem CID 55302448) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 5-chloro-3,4-dimethylpenta-1,2-diene.

Molecular Properties

Compound Name5-chloro-3,4-dimethylpenta-1,2-diene
PubChem CID55302448
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name5-chloro-3,4-dimethylpenta-1,2-diene
SMILESC=C=C(C)C(C)CCl
InChIInChI=1S/C7H11Cl/c1-4-6(2)7(3)5-8/h7H,1,5H2,2-3H3
InChIKeyQKVMAYATFZFJLU-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-3,4-dimethylpenta-1,2-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol
CID 130874615
(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792
(3S)-2,4-dimethylhexa-4,5-dien-3-amine
CID 55284875
1-chloro-2-methylpropane;methanol
CID 88619830
4-ethoxy-3,6-dimethylhepta-1,2-diene
CID 12571776
3-(chloromethyl)-2,4-dimethylpent-1-ene
CID 169183451
3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide
CID 62726487
3-ethyl-4-methylhexa-4,5-dien-1-ol
CID 174367127
1,2,3,4-tetrachloropentane
CID 14572537
2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate
CID 169323749
3,4-dimethylhexa-1,4,5-trien-2-ylcyclopropane
CID 123939025
2-carbonochloridoyloxyethyl 3-chloro-2-methylpropanoate
CID 13245070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4-dimethylpenta-1,2-diene?
The IUPAC name of 5-chloro-3,4-dimethylpenta-1,2-diene (CID 55302448) is 5-chloro-3,4-dimethylpenta-1,2-diene.
What is the SMILES notation for 5-chloro-3,4-dimethylpenta-1,2-diene?
The canonical SMILES for 5-chloro-3,4-dimethylpenta-1,2-diene is C=C=C(C)C(C)CCl.
What is the InChIKey of 5-chloro-3,4-dimethylpenta-1,2-diene?
The InChIKey is QKVMAYATFZFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-4-6(2)7(3)5-8/h7H,1,5H2,2-3H3.
What are the key properties of 5-chloro-3,4-dimethylpenta-1,2-diene?
5-chloro-3,4-dimethylpenta-1,2-diene has a molecular weight of 130.62 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4-dimethylpenta-1,2-diene is sourced from PubChem (CID 55302448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).