(E)-2-(ethoxymethoxy)tridec-2-enal

C16H30O3 — CID 166757843

IUPAC(E)-2-(ethoxymethoxy)tridec-2-enal
SMILESCCCCCCCCCC/C=C(\C=O)OCOCC
InChIInChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-16(14-17)19-15-18-4-2/h13-14H,3-12,15H2,1-2H3/b16-13+
InChIKeyZTEJUUDWPLCLRL-DTQAZKPQSA-N
MW270.41 g/mol
LogP4.61
Rot. Bonds14

About (E)-2-(ethoxymethoxy)tridec-2-enal

(E)-2-(ethoxymethoxy)tridec-2-enal (PubChem CID 166757843) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (E)-2-(ethoxymethoxy)tridec-2-enal.

Molecular Properties

Compound Name(E)-2-(ethoxymethoxy)tridec-2-enal
PubChem CID166757843
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(E)-2-(ethoxymethoxy)tridec-2-enal
SMILESCCCCCCCCCC/C=C(\C=O)OCOCC
InChIInChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-16(14-17)19-15-18-4-2/h13-14H,3-12,15H2,1-2H3/b16-13+
InChIKeyZTEJUUDWPLCLRL-DTQAZKPQSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxymethoxy)tridec-2-enal
CID 166757844
2-(octoxymethoxy)non-2-enal
CID 166758206
(E)-2-(octoxymethoxy)oct-2-enal
CID 166757977
2-(pentoxymethoxy)tetradec-2-enal
CID 166758012
2-(nonoxymethoxy)hept-2-enal
CID 166758220
2-(methoxymethoxy)non-2-enal
CID 166757436
2-(nonoxymethoxy)hex-2-enal
CID 166758276
2-(pentoxymethoxy)hex-2-enal
CID 166757565
2-(phenylmethoxymethoxy)dodec-2-enal
CID 166757556
(E)-2-(phenylmethoxymethoxy)non-2-enal
CID 166757305
(E)-2-(butoxymethoxy)hex-2-enal
CID 166757220
(E)-2-(hexoxymethoxy)pent-2-enal
CID 166757490

Frequently Asked Questions

What is the IUPAC name of (E)-2-(ethoxymethoxy)tridec-2-enal?
The IUPAC name of (E)-2-(ethoxymethoxy)tridec-2-enal (CID 166757843) is (E)-2-(ethoxymethoxy)tridec-2-enal.
What is the SMILES notation for (E)-2-(ethoxymethoxy)tridec-2-enal?
The canonical SMILES for (E)-2-(ethoxymethoxy)tridec-2-enal is CCCCCCCCCC/C=C(\C=O)OCOCC.
What is the InChIKey of (E)-2-(ethoxymethoxy)tridec-2-enal?
The InChIKey is ZTEJUUDWPLCLRL-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-16(14-17)19-15-18-4-2/h13-14H,3-12,15H2,1-2H3/b16-13+.
What are the key properties of (E)-2-(ethoxymethoxy)tridec-2-enal?
(E)-2-(ethoxymethoxy)tridec-2-enal has a molecular weight of 270.41 g/mol, XLogP of 4.61, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethoxymethoxy)tridec-2-enal is sourced from PubChem (CID 166757843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).