1,3-dichlorohepta-1,3-diene

C7H10Cl2 — CID 154209919

IUPAC1,3-dichlorohepta-1,3-diene
SMILESCCCC=C(Cl)C=CCl
InChIInChI=1S/C7H10Cl2/c1-2-3-4-7(9)5-6-8/h4-6H,2-3H2,1H3
InChIKeyUWVTXWSEMOAKEZ-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.66
Rot. Bonds3

About 1,3-dichlorohepta-1,3-diene

1,3-dichlorohepta-1,3-diene (PubChem CID 154209919) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1,3-dichlorohepta-1,3-diene.

Molecular Properties

Compound Name1,3-dichlorohepta-1,3-diene
PubChem CID154209919
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1,3-dichlorohepta-1,3-diene
SMILESCCCC=C(Cl)C=CCl
InChIInChI=1S/C7H10Cl2/c1-2-3-4-7(9)5-6-8/h4-6H,2-3H2,1H3
InChIKeyUWVTXWSEMOAKEZ-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-chlorohepta-1,3-diene
CID 88589148
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CID 19796923
1-bromo-1-chloropent-1-ene
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CID 130125414
(E)-1-chloro-1-ethylselanylpent-1-ene
CID 134920853
pent-1-ene-1,1-diol
CID 21473005
(E)-1,1,1-trichlorohex-2-en-2-ol
CID 88736650
methyl (Z)-2-chlorohex-2-enoate
CID 12547214
1-iodopent-1-en-1-ol
CID 154405328
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorohepta-1,3-diene?
The IUPAC name of 1,3-dichlorohepta-1,3-diene (CID 154209919) is 1,3-dichlorohepta-1,3-diene.
What is the SMILES notation for 1,3-dichlorohepta-1,3-diene?
The canonical SMILES for 1,3-dichlorohepta-1,3-diene is CCCC=C(Cl)C=CCl.
What is the InChIKey of 1,3-dichlorohepta-1,3-diene?
The InChIKey is UWVTXWSEMOAKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-2-3-4-7(9)5-6-8/h4-6H,2-3H2,1H3.
What are the key properties of 1,3-dichlorohepta-1,3-diene?
1,3-dichlorohepta-1,3-diene has a molecular weight of 165.06 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorohepta-1,3-diene is sourced from PubChem (CID 154209919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).