3-formyldodec-1-en-4-yl formate

C14H24O3 — CID 89127880

IUPAC3-formyldodec-1-en-4-yl formate
SMILESC=CC(C=O)C(CCCCCCCC)OC=O
InChIInChI=1S/C14H24O3/c1-3-5-6-7-8-9-10-14(17-12-16)13(4-2)11-15/h4,11-14H,2-3,5-10H2,1H3
InChIKeyXGNJRZRTKGHIHW-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.28
Rot. Bonds12

About 3-formyldodec-1-en-4-yl formate

3-formyldodec-1-en-4-yl formate (PubChem CID 89127880) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-formyldodec-1-en-4-yl formate.

Molecular Properties

Compound Name3-formyldodec-1-en-4-yl formate
PubChem CID89127880
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-formyldodec-1-en-4-yl formate
SMILESC=CC(C=O)C(CCCCCCCC)OC=O
InChIInChI=1S/C14H24O3/c1-3-5-6-7-8-9-10-14(17-12-16)13(4-2)11-15/h4,11-14H,2-3,5-10H2,1H3
InChIKeyXGNJRZRTKGHIHW-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formyldodec-1-en-4-yl formate?
The IUPAC name of 3-formyldodec-1-en-4-yl formate (CID 89127880) is 3-formyldodec-1-en-4-yl formate.
What is the SMILES notation for 3-formyldodec-1-en-4-yl formate?
The canonical SMILES for 3-formyldodec-1-en-4-yl formate is C=CC(C=O)C(CCCCCCCC)OC=O.
What is the InChIKey of 3-formyldodec-1-en-4-yl formate?
The InChIKey is XGNJRZRTKGHIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-5-6-7-8-9-10-14(17-12-16)13(4-2)11-15/h4,11-14H,2-3,5-10H2,1H3.
What are the key properties of 3-formyldodec-1-en-4-yl formate?
3-formyldodec-1-en-4-yl formate has a molecular weight of 240.34 g/mol, XLogP of 3.28, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyldodec-1-en-4-yl formate is sourced from PubChem (CID 89127880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).