(1E,7E)-cyclododeca-1,7-diene

C12H20 — CID 6477773

IUPAC(1E,7E)-cyclododeca-1,7-diene
SMILESC1=C/CCCC/C=C/CCCC/1
InChIInChI=1S/C12H20/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,11-12H,3-10H2/b2-1+,12-11+
InChIKeyZLLMHFVWHQSIIV-ANWANCDBSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds

About (1E,7E)-cyclododeca-1,7-diene

(1E,7E)-cyclododeca-1,7-diene (PubChem CID 6477773) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (1E,7E)-cyclododeca-1,7-diene.

Molecular Properties

Compound Name(1E,7E)-cyclododeca-1,7-diene
PubChem CID6477773
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(1E,7E)-cyclododeca-1,7-diene
SMILESC1=C/CCCC/C=C/CCCC/1
InChIInChI=1S/C12H20/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,11-12H,3-10H2/b2-1+,12-11+
InChIKeyZLLMHFVWHQSIIV-ANWANCDBSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(5Z)-cyclodeca-1,5-diene
CID 97293620
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
(5E)-cyclotetradeca-1,5-diene
CID 173030551
(1E,5E)-cyclooctadeca-1,5-diene
CID 143896645
cyclotetradeca-1,6-diene
CID 90733243
cyclohexaconta-1,5,13,17,25,29,37,41,49,53-decaene
CID 23412584

Frequently Asked Questions

What is the IUPAC name of (1E,7E)-cyclododeca-1,7-diene?
The IUPAC name of (1E,7E)-cyclododeca-1,7-diene (CID 6477773) is (1E,7E)-cyclododeca-1,7-diene.
What is the SMILES notation for (1E,7E)-cyclododeca-1,7-diene?
The canonical SMILES for (1E,7E)-cyclododeca-1,7-diene is C1=C/CCCC/C=C/CCCC/1.
What is the InChIKey of (1E,7E)-cyclododeca-1,7-diene?
The InChIKey is ZLLMHFVWHQSIIV-ANWANCDBSA-N. The full InChI is InChI=1S/C12H20/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,11-12H,3-10H2/b2-1+,12-11+.
What are the key properties of (1E,7E)-cyclododeca-1,7-diene?
(1E,7E)-cyclododeca-1,7-diene has a molecular weight of 164.29 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7E)-cyclododeca-1,7-diene is sourced from PubChem (CID 6477773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).