(1E,3E)-1-chloroocta-1,3-diene

C8H13Cl — CID 15469426

IUPAC(1E,3E)-1-chloroocta-1,3-diene
SMILESCCCC/C=C/C=C/Cl
InChIInChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h5-8H,2-4H2,1H3/b6-5+,8-7+
InChIKeyNWXQBADSBSWXNY-BSWSSELBSA-N
MW144.65 g/mol
LogP3.49
Rot. Bonds4

About (1E,3E)-1-chloroocta-1,3-diene

(1E,3E)-1-chloroocta-1,3-diene (PubChem CID 15469426) has the molecular formula C8H13Cl and a molecular weight of 144.65 g/mol. Its IUPAC name is (1E,3E)-1-chloroocta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-chloroocta-1,3-diene
PubChem CID15469426
Molecular FormulaC8H13Cl
Molecular Weight144.65 g/mol
Exact Mass144.07
IUPAC Name(1E,3E)-1-chloroocta-1,3-diene
SMILESCCCC/C=C/C=C/Cl
InChIInChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h5-8H,2-4H2,1H3/b6-5+,8-7+
InChIKeyNWXQBADSBSWXNY-BSWSSELBSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.65
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-chloroocta-1,3-diene?
The IUPAC name of (1E,3E)-1-chloroocta-1,3-diene (CID 15469426) is (1E,3E)-1-chloroocta-1,3-diene.
What is the SMILES notation for (1E,3E)-1-chloroocta-1,3-diene?
The canonical SMILES for (1E,3E)-1-chloroocta-1,3-diene is CCCC/C=C/C=C/Cl.
What is the InChIKey of (1E,3E)-1-chloroocta-1,3-diene?
The InChIKey is NWXQBADSBSWXNY-BSWSSELBSA-N. The full InChI is InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h5-8H,2-4H2,1H3/b6-5+,8-7+.
What are the key properties of (1E,3E)-1-chloroocta-1,3-diene?
(1E,3E)-1-chloroocta-1,3-diene has a molecular weight of 144.65 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-chloroocta-1,3-diene is sourced from PubChem (CID 15469426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).