9-(ethoxymethoxy)cyclododeca-1,5-diene

C15H26O2 — CID 123658901

IUPAC9-(ethoxymethoxy)cyclododeca-1,5-diene
SMILESCCOCOC1CCC=CCCC=CCCC1
InChIInChI=1S/C15H26O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h4,6-7,9,15H,2-3,5,8,10-14H2,1H3
InChIKeyLZBYDVFJRLMZAM-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds4

About 9-(ethoxymethoxy)cyclododeca-1,5-diene

9-(ethoxymethoxy)cyclododeca-1,5-diene (PubChem CID 123658901) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 9-(ethoxymethoxy)cyclododeca-1,5-diene.

Molecular Properties

Compound Name9-(ethoxymethoxy)cyclododeca-1,5-diene
PubChem CID123658901
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name9-(ethoxymethoxy)cyclododeca-1,5-diene
SMILESCCOCOC1CCC=CCCC=CCCC1
InChIInChI=1S/C15H26O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h4,6-7,9,15H,2-3,5,8,10-14H2,1H3
InChIKeyLZBYDVFJRLMZAM-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carbonic acid, 4-cycloocten-1-yl methyl ester
CID 5463762
Cyclooct-4-en-1-yl methyl carbonate
CID 54027559
3-Undecene, 11,11-diethoxy-, (3Z)-
CID 177843260
3-Nonene, 8,8-dimethoxy-, (3Z)-
CID 6438012
3-Nonene, 8,8-dimethoxy-, (3E)-
CID 6438013
(Z)-1-(methoxymethoxy)dodec-5-ene
CID 89012537
(Z)-12,12-dimethoxydodec-3-ene
CID 126725828
(E)-12,12-dimethoxydodec-3-ene
CID 155762804
(Z)-1-(methoxymethoxy)dodec-3-ene
CID 167000737
(E)-18-(methoxymethoxy)octadec-5-ene
CID 170245320
(E)-8-(methoxymethoxy)tridec-6-ene
CID 13267433
6-(Ethoxymethoxy)-1-prop-2-enylcyclohexene
CID 86034416

Frequently Asked Questions

What is the IUPAC name of 9-(ethoxymethoxy)cyclododeca-1,5-diene?
The IUPAC name of 9-(ethoxymethoxy)cyclododeca-1,5-diene (CID 123658901) is 9-(ethoxymethoxy)cyclododeca-1,5-diene.
What is the SMILES notation for 9-(ethoxymethoxy)cyclododeca-1,5-diene?
The canonical SMILES for 9-(ethoxymethoxy)cyclododeca-1,5-diene is CCOCOC1CCC=CCCC=CCCC1.
What is the InChIKey of 9-(ethoxymethoxy)cyclododeca-1,5-diene?
The InChIKey is LZBYDVFJRLMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h4,6-7,9,15H,2-3,5,8,10-14H2,1H3.
What are the key properties of 9-(ethoxymethoxy)cyclododeca-1,5-diene?
9-(ethoxymethoxy)cyclododeca-1,5-diene has a molecular weight of 238.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethoxymethoxy)cyclododeca-1,5-diene is sourced from PubChem (CID 123658901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).