(1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene

C15H24O2 — CID 100981328

IUPAC(1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene
SMILESCOCCOC1/C=C\CC/C=C\CC/C=C\C1
InChIInChI=1S/C15H24O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h2-3,8-11,15H,4-7,12-14H2,1H3/b3-2-,10-8-,11-9-
InChIKeyCOHLAWXLWQPEGB-AKEDJNCFSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds4

About (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene

(1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene (PubChem CID 100981328) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene.

Molecular Properties

Compound Name(1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene
PubChem CID100981328
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene
SMILESCOCCOC1/C=C\CC/C=C\CC/C=C\C1
InChIInChI=1S/C15H24O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h2-3,8-11,15H,4-7,12-14H2,1H3/b3-2-,10-8-,11-9-
InChIKeyCOHLAWXLWQPEGB-AKEDJNCFSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene?
The IUPAC name of (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene (CID 100981328) is (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene.
What is the SMILES notation for (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene?
The canonical SMILES for (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene is COCCOC1/C=C\CC/C=C\CC/C=C\C1.
What is the InChIKey of (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene?
The InChIKey is COHLAWXLWQPEGB-AKEDJNCFSA-N. The full InChI is InChI=1S/C15H24O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h2-3,8-11,15H,4-7,12-14H2,1H3/b3-2-,10-8-,11-9-.
What are the key properties of (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene?
(1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene has a molecular weight of 236.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z,9Z)-3-(2-methoxyethoxy)cyclododeca-1,5,9-triene is sourced from PubChem (CID 100981328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).