(2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene

C11H19Cl — CID 134995533

IUPAC(2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene
SMILESCC/C(=C/CCl)CCC=C(C)C
InChIInChI=1S/C11H19Cl/c1-4-11(8-9-12)7-5-6-10(2)3/h6,8H,4-5,7,9H2,1-3H3/b11-8-
InChIKeyFWZAQQFQVDLJEJ-FLIBITNWSA-N
MW186.73 g/mol
LogP4.31
Rot. Bonds5

About (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene

(2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene (PubChem CID 134995533) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene.

Molecular Properties

Compound Name(2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene
PubChem CID134995533
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name(2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene
SMILESCC/C(=C/CCl)CCC=C(C)C
InChIInChI=1S/C11H19Cl/c1-4-11(8-9-12)7-5-6-10(2)3/h6,8H,4-5,7,9H2,1-3H3/b11-8-
InChIKeyFWZAQQFQVDLJEJ-FLIBITNWSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene?
The IUPAC name of (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene (CID 134995533) is (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene.
What is the SMILES notation for (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene?
The canonical SMILES for (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene is CC/C(=C/CCl)CCC=C(C)C.
What is the InChIKey of (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene?
The InChIKey is FWZAQQFQVDLJEJ-FLIBITNWSA-N. The full InChI is InChI=1S/C11H19Cl/c1-4-11(8-9-12)7-5-6-10(2)3/h6,8H,4-5,7,9H2,1-3H3/b11-8-.
What are the key properties of (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene?
(2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene has a molecular weight of 186.73 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene is sourced from PubChem (CID 134995533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).