1,1-dichloro-3,3-dimethylpenta-1,4-diene

C7H10Cl2 — CID 13089648

IUPAC1,1-dichloro-3,3-dimethylpenta-1,4-diene
SMILESC=CC(C)(C)C=C(Cl)Cl
InChIInChI=1S/C7H10Cl2/c1-4-7(2,3)5-6(8)9/h4-5H,1H2,2-3H3
InChIKeyQHZJYDNPXMNLMV-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.52
Rot. Bonds2

About 1,1-dichloro-3,3-dimethylpenta-1,4-diene

1,1-dichloro-3,3-dimethylpenta-1,4-diene (PubChem CID 13089648) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1,1-dichloro-3,3-dimethylpenta-1,4-diene.

Molecular Properties

Compound Name1,1-dichloro-3,3-dimethylpenta-1,4-diene
PubChem CID13089648
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1,1-dichloro-3,3-dimethylpenta-1,4-diene
SMILESC=CC(C)(C)C=C(Cl)Cl
InChIInChI=1S/C7H10Cl2/c1-4-7(2,3)5-6(8)9/h4-5H,1H2,2-3H3
InChIKeyQHZJYDNPXMNLMV-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3,3,6,6-tetramethylhepta-1,4-diene
CID 142855106
1,1,3,4-tetrachloro-3-methylbut-1-ene
CID 23270444
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
3,3,5,5-tetramethylhepta-1,6-dien-4-one
CID 14528511
2,2-dimethylbut-3-enylidene(dimethyl)azanium
CID 177028140
(3E)-5,5-dimethylhepta-3,6-dien-1-ol
CID 10441786
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
1,1-dichloro-2-methylbut-3-en-2-ol
CID 119096410
(3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol
CID 139377074
N-ethenyl-2,2-dimethylbut-3-en-1-imine
CID 169115736

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3,3-dimethylpenta-1,4-diene?
The IUPAC name of 1,1-dichloro-3,3-dimethylpenta-1,4-diene (CID 13089648) is 1,1-dichloro-3,3-dimethylpenta-1,4-diene.
What is the SMILES notation for 1,1-dichloro-3,3-dimethylpenta-1,4-diene?
The canonical SMILES for 1,1-dichloro-3,3-dimethylpenta-1,4-diene is C=CC(C)(C)C=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3,3-dimethylpenta-1,4-diene?
The InChIKey is QHZJYDNPXMNLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-4-7(2,3)5-6(8)9/h4-5H,1H2,2-3H3.
What are the key properties of 1,1-dichloro-3,3-dimethylpenta-1,4-diene?
1,1-dichloro-3,3-dimethylpenta-1,4-diene has a molecular weight of 165.06 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3,3-dimethylpenta-1,4-diene is sourced from PubChem (CID 13089648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).