(5Z)-3-ethylcyclodeca-1,5-diene

C12H20 — CID 173433007

IUPAC(5Z)-3-ethylcyclodeca-1,5-diene
SMILESCCC1C=CCCCC/C=C\C1
InChIInChI=1S/C12H20/c1-2-12-10-8-6-4-3-5-7-9-11-12/h6,8-9,11-12H,2-5,7,10H2,1H3/b8-6-,11-9?
InChIKeyZRQWHWFRUNZZEC-QHPIGMMXSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds1

About (5Z)-3-ethylcyclodeca-1,5-diene

(5Z)-3-ethylcyclodeca-1,5-diene (PubChem CID 173433007) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (5Z)-3-ethylcyclodeca-1,5-diene.

Molecular Properties

Compound Name(5Z)-3-ethylcyclodeca-1,5-diene
PubChem CID173433007
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(5Z)-3-ethylcyclodeca-1,5-diene
SMILESCCC1C=CCCCC/C=C\C1
InChIInChI=1S/C12H20/c1-2-12-10-8-6-4-3-5-7-9-11-12/h6,8-9,11-12H,2-5,7,10H2,1H3/b8-6-,11-9?
InChIKeyZRQWHWFRUNZZEC-QHPIGMMXSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethylcyclodeca-1,5-diene?
The IUPAC name of (5Z)-3-ethylcyclodeca-1,5-diene (CID 173433007) is (5Z)-3-ethylcyclodeca-1,5-diene.
What is the SMILES notation for (5Z)-3-ethylcyclodeca-1,5-diene?
The canonical SMILES for (5Z)-3-ethylcyclodeca-1,5-diene is CCC1C=CCCCC/C=C\C1.
What is the InChIKey of (5Z)-3-ethylcyclodeca-1,5-diene?
The InChIKey is ZRQWHWFRUNZZEC-QHPIGMMXSA-N. The full InChI is InChI=1S/C12H20/c1-2-12-10-8-6-4-3-5-7-9-11-12/h6,8-9,11-12H,2-5,7,10H2,1H3/b8-6-,11-9?.
What are the key properties of (5Z)-3-ethylcyclodeca-1,5-diene?
(5Z)-3-ethylcyclodeca-1,5-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethylcyclodeca-1,5-diene is sourced from PubChem (CID 173433007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).