(3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene

C9H14Cl2 — CID 134377711

IUPAC(3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene
SMILESCC/C=C\C(Cl)=C(\C)C(C)Cl
InChIInChI=1S/C9H14Cl2/c1-4-5-6-9(11)7(2)8(3)10/h5-6,8H,4H2,1-3H3/b6-5-,9-7+
InChIKeyLQPFUGOGAVOUPK-BZWSEGBZSA-N
MW193.12 g/mol
LogP4.09
Rot. Bonds3

About (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene

(3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene (PubChem CID 134377711) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene
PubChem CID134377711
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name(3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene
SMILESCC/C=C\C(Cl)=C(\C)C(C)Cl
InChIInChI=1S/C9H14Cl2/c1-4-5-6-9(11)7(2)8(3)10/h5-6,8H,4H2,1-3H3/b6-5-,9-7+
InChIKeyLQPFUGOGAVOUPK-BZWSEGBZSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene?
The IUPAC name of (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene (CID 134377711) is (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene.
What is the SMILES notation for (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene?
The canonical SMILES for (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene is CC/C=C\C(Cl)=C(\C)C(C)Cl.
What is the InChIKey of (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene?
The InChIKey is LQPFUGOGAVOUPK-BZWSEGBZSA-N. The full InChI is InChI=1S/C9H14Cl2/c1-4-5-6-9(11)7(2)8(3)10/h5-6,8H,4H2,1-3H3/b6-5-,9-7+.
What are the key properties of (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene?
(3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene has a molecular weight of 193.12 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2,4-dichloro-3-methylocta-3,5-diene is sourced from PubChem (CID 134377711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).