11-(ethoxymethoxy)cyclohexadeca-1,5-diene

C19H34O2 — CID 123721914

IUPAC11-(ethoxymethoxy)cyclohexadeca-1,5-diene
SMILESCCOCOC1CCCCC=CCCC=CCCCCC1
InChIInChI=1S/C19H34O2/c1-2-20-18-21-19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6-7,9,19H,2-3,5,8,10-18H2,1H3
InChIKeyFNSJDJAOPHAZSL-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.78
Rot. Bonds4

About 11-(ethoxymethoxy)cyclohexadeca-1,5-diene

11-(ethoxymethoxy)cyclohexadeca-1,5-diene (PubChem CID 123721914) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 11-(ethoxymethoxy)cyclohexadeca-1,5-diene.

Molecular Properties

Compound Name11-(ethoxymethoxy)cyclohexadeca-1,5-diene
PubChem CID123721914
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name11-(ethoxymethoxy)cyclohexadeca-1,5-diene
SMILESCCOCOC1CCCCC=CCCC=CCCCCC1
InChIInChI=1S/C19H34O2/c1-2-20-18-21-19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6-7,9,19H,2-3,5,8,10-18H2,1H3
InChIKeyFNSJDJAOPHAZSL-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.78
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

9-Octadecene, 1,1-dimethoxy-, (Z)-
CID 5466600
3-Undecene, 11,11-diethoxy-, (3Z)-
CID 177843260
3,5-Hexadecadiene, 16,16-diethoxy-, (3Z,5Z)-
CID 13194926
3-Tetradecene, 14,14-dimethoxy-, (3E)-
CID 6450377
3-Tetradecene, 14,14-dimethoxy-, (3Z)-
CID 20841392
5-Hexadecene, 16,16-diethoxy-, (5Z)-
CID 6438017
3-Tetradecene, 14,14-diethoxy-, (3E)-
CID 6450367
Dioleyl carbonate
CID 57474348
(Z,E)-11,13-Hexadecadienal diethyl acetal
CID 87491154
2-Butoxyheptadec-8-ene
CID 91038550
5-Hexadecene, 16,16-dimethoxy-, (5Z)-
CID 6438014
7-Hexadecene, 16,16-dimethoxy-, (7Z)-
CID 6438015

Frequently Asked Questions

What is the IUPAC name of 11-(ethoxymethoxy)cyclohexadeca-1,5-diene?
The IUPAC name of 11-(ethoxymethoxy)cyclohexadeca-1,5-diene (CID 123721914) is 11-(ethoxymethoxy)cyclohexadeca-1,5-diene.
What is the SMILES notation for 11-(ethoxymethoxy)cyclohexadeca-1,5-diene?
The canonical SMILES for 11-(ethoxymethoxy)cyclohexadeca-1,5-diene is CCOCOC1CCCCC=CCCC=CCCCCC1.
What is the InChIKey of 11-(ethoxymethoxy)cyclohexadeca-1,5-diene?
The InChIKey is FNSJDJAOPHAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-20-18-21-19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6-7,9,19H,2-3,5,8,10-18H2,1H3.
What are the key properties of 11-(ethoxymethoxy)cyclohexadeca-1,5-diene?
11-(ethoxymethoxy)cyclohexadeca-1,5-diene has a molecular weight of 294.48 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(ethoxymethoxy)cyclohexadeca-1,5-diene is sourced from PubChem (CID 123721914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).