3-(triethoxymethyl)undec-2-ene

C18H36O3 — CID 150998769

IUPAC3-(triethoxymethyl)undec-2-ene
SMILESCC=C(CCCCCCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C18H36O3/c1-6-11-12-13-14-15-16-17(7-2)18(19-8-3,20-9-4)21-10-5/h7H,6,8-16H2,1-5H3
InChIKeyLTQUNWJXROJPRX-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.45
Rot. Bonds14

About 3-(triethoxymethyl)undec-2-ene

3-(triethoxymethyl)undec-2-ene (PubChem CID 150998769) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 3-(triethoxymethyl)undec-2-ene.

Molecular Properties

Compound Name3-(triethoxymethyl)undec-2-ene
PubChem CID150998769
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name3-(triethoxymethyl)undec-2-ene
SMILESCC=C(CCCCCCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C18H36O3/c1-6-11-12-13-14-15-16-17(7-2)18(19-8-3,20-9-4)21-10-5/h7H,6,8-16H2,1-5H3
InChIKeyLTQUNWJXROJPRX-UHFFFAOYSA-N
XLogP5.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.45
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

4-(triethoxymethyl)dodec-3-ene
CID 152586980
6-ethylidenehexadecane
CID 169207706
2,2-diethoxynonane
CID 89439020
3-ethoxy-3-methyltridecan-4-one
CID 116746962
(E)-3-methyltridec-2-ene
CID 22000795
(Z)-pentadec-2-en-3-ol
CID 141060609
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-4-(trifluoromethyl)tetradec-3-ene
CID 11536279
decane;ruthenium
CID 160818595
2-ethoxytetradecan-2-ol
CID 154401470
dec-2-en-3-amine
CID 154268798

Frequently Asked Questions

What is the IUPAC name of 3-(triethoxymethyl)undec-2-ene?
The IUPAC name of 3-(triethoxymethyl)undec-2-ene (CID 150998769) is 3-(triethoxymethyl)undec-2-ene.
What is the SMILES notation for 3-(triethoxymethyl)undec-2-ene?
The canonical SMILES for 3-(triethoxymethyl)undec-2-ene is CC=C(CCCCCCCC)C(OCC)(OCC)OCC.
What is the InChIKey of 3-(triethoxymethyl)undec-2-ene?
The InChIKey is LTQUNWJXROJPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-6-11-12-13-14-15-16-17(7-2)18(19-8-3,20-9-4)21-10-5/h7H,6,8-16H2,1-5H3.
What are the key properties of 3-(triethoxymethyl)undec-2-ene?
3-(triethoxymethyl)undec-2-ene has a molecular weight of 300.48 g/mol, XLogP of 5.45, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triethoxymethyl)undec-2-ene is sourced from PubChem (CID 150998769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).