14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene

C21H42O4 — CID 163205951

IUPAC14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
SMILESCCOCOC=CCCCCCCCCCCCC(OCC)OCC
InChIInChI=1S/C21H42O4/c1-4-22-20-23-19-17-15-13-11-9-7-8-10-12-14-16-18-21(24-5-2)25-6-3/h17,19,21H,4-16,18,20H2,1-3H3
InChIKeyGJOQKZSREVZXHU-UHFFFAOYSA-N
MW358.56 g/mol
LogP6.20
Rot. Bonds20

About 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene

14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene (PubChem CID 163205951) has the molecular formula C21H42O4 and a molecular weight of 358.56 g/mol. Its IUPAC name is 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene.

Molecular Properties

Compound Name14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
PubChem CID163205951
Molecular FormulaC21H42O4
Molecular Weight358.56 g/mol
Exact Mass358.31
IUPAC Name14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
SMILESCCOCOC=CCCCCCCCCCCCC(OCC)OCC
InChIInChI=1S/C21H42O4/c1-4-22-20-23-19-17-15-13-11-9-7-8-10-12-14-16-18-21(24-5-2)25-6-3/h17,19,21H,4-16,18,20H2,1-3H3
InChIKeyGJOQKZSREVZXHU-UHFFFAOYSA-N
XLogP6.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
16,16-diethoxyhexadec-3-ene
CID 91492223
12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
CID 163205685

Frequently Asked Questions

What is the IUPAC name of 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene?
The IUPAC name of 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene (CID 163205951) is 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene.
What is the SMILES notation for 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene?
The canonical SMILES for 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene is CCOCOC=CCCCCCCCCCCCC(OCC)OCC.
What is the InChIKey of 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene?
The InChIKey is GJOQKZSREVZXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4/c1-4-22-20-23-19-17-15-13-11-9-7-8-10-12-14-16-18-21(24-5-2)25-6-3/h17,19,21H,4-16,18,20H2,1-3H3.
What are the key properties of 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene?
14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene has a molecular weight of 358.56 g/mol, XLogP of 6.20, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene is sourced from PubChem (CID 163205951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).