14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene

C20H36O2 — CID 57281469

IUPAC14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene
SMILESCCOCOCCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H36O2/c1-6-21-17-22-16-8-7-12-19(4)14-10-15-20(5)13-9-11-18(2)3/h11-12,15H,6-10,13-14,16-17H2,1-5H3
InChIKeyIEGGAJXQMVAANR-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.20
Rot. Bonds13

About 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene

14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene (PubChem CID 57281469) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene.

Molecular Properties

Compound Name14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene
PubChem CID57281469
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene
SMILESCCOCOCCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H36O2/c1-6-21-17-22-16-8-7-12-19(4)14-10-15-20(5)13-9-11-18(2)3/h11-12,15H,6-10,13-14,16-17H2,1-5H3
InChIKeyIEGGAJXQMVAANR-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.20
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

ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
CID 174355768
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 67790296
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074

Frequently Asked Questions

What is the IUPAC name of 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene?
The IUPAC name of 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene (CID 57281469) is 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene.
What is the SMILES notation for 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene?
The canonical SMILES for 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene is CCOCOCCCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene?
The InChIKey is IEGGAJXQMVAANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-6-21-17-22-16-8-7-12-19(4)14-10-15-20(5)13-9-11-18(2)3/h11-12,15H,6-10,13-14,16-17H2,1-5H3.
What are the key properties of 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene?
14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene has a molecular weight of 308.51 g/mol, XLogP of 6.20, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene is sourced from PubChem (CID 57281469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).