8-(propoxymethoxy)oct-7-enal

C12H22O3 — CID 162392540

IUPAC8-(propoxymethoxy)oct-7-enal
SMILESCCCOCOC=CCCCCCC=O
InChIInChI=1S/C12H22O3/c1-2-10-14-12-15-11-8-6-4-3-5-7-9-13/h8-9,11H,2-7,10,12H2,1H3
InChIKeySLDUIQSIYPTGFV-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.05
Rot. Bonds11

About 8-(propoxymethoxy)oct-7-enal

8-(propoxymethoxy)oct-7-enal (PubChem CID 162392540) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 8-(propoxymethoxy)oct-7-enal.

Molecular Properties

Compound Name8-(propoxymethoxy)oct-7-enal
PubChem CID162392540
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name8-(propoxymethoxy)oct-7-enal
SMILESCCCOCOC=CCCCCCC=O
InChIInChI=1S/C12H22O3/c1-2-10-14-12-15-11-8-6-4-3-5-7-9-13/h8-9,11H,2-7,10,12H2,1H3
InChIKeySLDUIQSIYPTGFV-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.05
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'}

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Related Compounds

13-(propoxymethoxy)tridec-12-enal
CID 162392784
12-(hexoxymethoxy)dodec-11-enal
CID 162392745
14-(decoxymethoxy)tetradec-13-enal
CID 162392403
8-(decoxymethoxy)oct-7-enal
CID 162392517
5-(nonoxymethoxy)pent-4-enal
CID 162392763
12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
CID 163205685
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octadec-13-enal
CID 5367670
(E)-tetradec-7-enal
CID 5283367

Frequently Asked Questions

What is the IUPAC name of 8-(propoxymethoxy)oct-7-enal?
The IUPAC name of 8-(propoxymethoxy)oct-7-enal (CID 162392540) is 8-(propoxymethoxy)oct-7-enal.
What is the SMILES notation for 8-(propoxymethoxy)oct-7-enal?
The canonical SMILES for 8-(propoxymethoxy)oct-7-enal is CCCOCOC=CCCCCCC=O.
What is the InChIKey of 8-(propoxymethoxy)oct-7-enal?
The InChIKey is SLDUIQSIYPTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-10-14-12-15-11-8-6-4-3-5-7-9-13/h8-9,11H,2-7,10,12H2,1H3.
What are the key properties of 8-(propoxymethoxy)oct-7-enal?
8-(propoxymethoxy)oct-7-enal has a molecular weight of 214.30 g/mol, XLogP of 3.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propoxymethoxy)oct-7-enal is sourced from PubChem (CID 162392540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).