4-(triethoxymethyl)dodec-3-ene

C19H38O3 — CID 152586980

IUPAC4-(triethoxymethyl)dodec-3-ene
SMILESCCC=C(CCCCCCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C19H38O3/c1-6-11-12-13-14-15-17-18(16-7-2)19(20-8-3,21-9-4)22-10-5/h16H,6-15,17H2,1-5H3
InChIKeyYURBPUVZABHHGS-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.84
Rot. Bonds15

About 4-(triethoxymethyl)dodec-3-ene

4-(triethoxymethyl)dodec-3-ene (PubChem CID 152586980) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 4-(triethoxymethyl)dodec-3-ene.

Molecular Properties

Compound Name4-(triethoxymethyl)dodec-3-ene
PubChem CID152586980
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name4-(triethoxymethyl)dodec-3-ene
SMILESCCC=C(CCCCCCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C19H38O3/c1-6-11-12-13-14-15-17-18(16-7-2)19(20-8-3,21-9-4)22-10-5/h16H,6-15,17H2,1-5H3
InChIKeyYURBPUVZABHHGS-UHFFFAOYSA-N
XLogP5.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-(triethoxymethyl)undec-2-ene
CID 150998769
(E)-4-(trifluoromethyl)tetradec-3-ene
CID 11536279
4-tert-butyloct-3-ene
CID 123879820
4-methylheptadec-3-ene
CID 59169426
4-propylnon-3-ene
CID 57321984
(Z)-dodec-3-en-4-amine
CID 21249690
4-fluoroundec-3-ene
CID 141013194
3-ethoxy-3-methyltridecan-4-one
CID 116746962
N-methylnonadec-3-en-4-amine
CID 174311135
2-propylidenedecane-1,1-diol
CID 174657973
2,2-diethoxynonane
CID 89439020
[(Z)-dec-3-en-4-yl] 2,2-dimethylbutanoate
CID 23024255

Frequently Asked Questions

What is the IUPAC name of 4-(triethoxymethyl)dodec-3-ene?
The IUPAC name of 4-(triethoxymethyl)dodec-3-ene (CID 152586980) is 4-(triethoxymethyl)dodec-3-ene.
What is the SMILES notation for 4-(triethoxymethyl)dodec-3-ene?
The canonical SMILES for 4-(triethoxymethyl)dodec-3-ene is CCC=C(CCCCCCCC)C(OCC)(OCC)OCC.
What is the InChIKey of 4-(triethoxymethyl)dodec-3-ene?
The InChIKey is YURBPUVZABHHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-6-11-12-13-14-15-17-18(16-7-2)19(20-8-3,21-9-4)22-10-5/h16H,6-15,17H2,1-5H3.
What are the key properties of 4-(triethoxymethyl)dodec-3-ene?
4-(triethoxymethyl)dodec-3-ene has a molecular weight of 314.51 g/mol, XLogP of 5.84, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triethoxymethyl)dodec-3-ene is sourced from PubChem (CID 152586980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).