2-(pentoxymethoxy)tetradec-2-enal

C20H38O3 — CID 166758012

IUPAC2-(pentoxymethoxy)tetradec-2-enal
SMILESCCCCCCCCCCCC=C(C=O)OCOCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-8-9-10-11-12-13-14-16-20(18-21)23-19-22-17-15-6-4-2/h16,18H,3-15,17,19H2,1-2H3
InChIKeyPXLGVWLXTUBRMP-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.17
Rot. Bonds18

About 2-(pentoxymethoxy)tetradec-2-enal

2-(pentoxymethoxy)tetradec-2-enal (PubChem CID 166758012) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 2-(pentoxymethoxy)tetradec-2-enal.

Molecular Properties

Compound Name2-(pentoxymethoxy)tetradec-2-enal
PubChem CID166758012
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name2-(pentoxymethoxy)tetradec-2-enal
SMILESCCCCCCCCCCCC=C(C=O)OCOCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-8-9-10-11-12-13-14-16-20(18-21)23-19-22-17-15-6-4-2/h16,18H,3-15,17,19H2,1-2H3
InChIKeyPXLGVWLXTUBRMP-UHFFFAOYSA-N
XLogP6.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.17
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

(E)-2-(octoxymethoxy)oct-2-enal
CID 166757977
2-(octoxymethoxy)non-2-enal
CID 166758206
2-(nonoxymethoxy)hept-2-enal
CID 166758220
2-(nonoxymethoxy)hex-2-enal
CID 166758276
2-(pentoxymethoxy)hex-2-enal
CID 166757565
2-(ethoxymethoxy)tridec-2-enal
CID 166757844
(E)-2-(ethoxymethoxy)tridec-2-enal
CID 166757843
(E)-2-(hexoxymethoxy)pent-2-enal
CID 166757490
(E)-2-(butoxymethoxy)hex-2-enal
CID 166757220
2-(methoxymethoxy)non-2-enal
CID 166757436
2-(phenylmethoxymethoxy)dodec-2-enal
CID 166757556
(E)-2-(phenylmethoxymethoxy)non-2-enal
CID 166757305

Frequently Asked Questions

What is the IUPAC name of 2-(pentoxymethoxy)tetradec-2-enal?
The IUPAC name of 2-(pentoxymethoxy)tetradec-2-enal (CID 166758012) is 2-(pentoxymethoxy)tetradec-2-enal.
What is the SMILES notation for 2-(pentoxymethoxy)tetradec-2-enal?
The canonical SMILES for 2-(pentoxymethoxy)tetradec-2-enal is CCCCCCCCCCCC=C(C=O)OCOCCCCC.
What is the InChIKey of 2-(pentoxymethoxy)tetradec-2-enal?
The InChIKey is PXLGVWLXTUBRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-7-8-9-10-11-12-13-14-16-20(18-21)23-19-22-17-15-6-4-2/h16,18H,3-15,17,19H2,1-2H3.
What are the key properties of 2-(pentoxymethoxy)tetradec-2-enal?
2-(pentoxymethoxy)tetradec-2-enal has a molecular weight of 326.52 g/mol, XLogP of 6.17, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentoxymethoxy)tetradec-2-enal is sourced from PubChem (CID 166758012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).