7-(1-ethoxyethoxy)-3,7-dimethyloctanal

C14H28O3 — CID 3022715

IUPAC7-(1-ethoxyethoxy)-3,7-dimethyloctanal
SMILESCCOC(C)OC(C)(C)CCCC(C)CC=O
InChIInChI=1S/C14H28O3/c1-6-16-13(3)17-14(4,5)10-7-8-12(2)9-11-15/h11-13H,6-10H2,1-5H3
InChIKeyWFYJZJGLGJDJFM-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.56
Rot. Bonds10

About 7-(1-ethoxyethoxy)-3,7-dimethyloctanal

7-(1-ethoxyethoxy)-3,7-dimethyloctanal (PubChem CID 3022715) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 7-(1-ethoxyethoxy)-3,7-dimethyloctanal.

Molecular Properties

Compound Name7-(1-ethoxyethoxy)-3,7-dimethyloctanal
PubChem CID3022715
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name7-(1-ethoxyethoxy)-3,7-dimethyloctanal
SMILESCCOC(C)OC(C)(C)CCCC(C)CC=O
InChIInChI=1S/C14H28O3/c1-6-16-13(3)17-14(4,5)10-7-8-12(2)9-11-15/h11-13H,6-10H2,1-5H3
InChIKeyWFYJZJGLGJDJFM-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethoxyethoxy)-3,7-dimethyloctanal?
The IUPAC name of 7-(1-ethoxyethoxy)-3,7-dimethyloctanal (CID 3022715) is 7-(1-ethoxyethoxy)-3,7-dimethyloctanal.
What is the SMILES notation for 7-(1-ethoxyethoxy)-3,7-dimethyloctanal?
The canonical SMILES for 7-(1-ethoxyethoxy)-3,7-dimethyloctanal is CCOC(C)OC(C)(C)CCCC(C)CC=O.
What is the InChIKey of 7-(1-ethoxyethoxy)-3,7-dimethyloctanal?
The InChIKey is WFYJZJGLGJDJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-6-16-13(3)17-14(4,5)10-7-8-12(2)9-11-15/h11-13H,6-10H2,1-5H3.
What are the key properties of 7-(1-ethoxyethoxy)-3,7-dimethyloctanal?
7-(1-ethoxyethoxy)-3,7-dimethyloctanal has a molecular weight of 244.37 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethoxyethoxy)-3,7-dimethyloctanal is sourced from PubChem (CID 3022715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).