7-ethoxy-2,3,7-trimethyloctanal

C13H26O2 — CID 59560846

IUPAC7-ethoxy-2,3,7-trimethyloctanal
SMILESCCOC(C)(C)CCCC(C)C(C)C=O
InChIInChI=1S/C13H26O2/c1-6-15-13(4,5)9-7-8-11(2)12(3)10-14/h10-12H,6-9H2,1-5H3
InChIKeyCPOSUELHLYWZMU-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.44
Rot. Bonds8

About 7-ethoxy-2,3,7-trimethyloctanal

7-ethoxy-2,3,7-trimethyloctanal (PubChem CID 59560846) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-ethoxy-2,3,7-trimethyloctanal.

Molecular Properties

Compound Name7-ethoxy-2,3,7-trimethyloctanal
PubChem CID59560846
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name7-ethoxy-2,3,7-trimethyloctanal
SMILESCCOC(C)(C)CCCC(C)C(C)C=O
InChIInChI=1S/C13H26O2/c1-6-15-13(4,5)9-7-8-11(2)12(3)10-14/h10-12H,6-9H2,1-5H3
InChIKeyCPOSUELHLYWZMU-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2,3,7-trimethyloctanal?
The IUPAC name of 7-ethoxy-2,3,7-trimethyloctanal (CID 59560846) is 7-ethoxy-2,3,7-trimethyloctanal.
What is the SMILES notation for 7-ethoxy-2,3,7-trimethyloctanal?
The canonical SMILES for 7-ethoxy-2,3,7-trimethyloctanal is CCOC(C)(C)CCCC(C)C(C)C=O.
What is the InChIKey of 7-ethoxy-2,3,7-trimethyloctanal?
The InChIKey is CPOSUELHLYWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-6-15-13(4,5)9-7-8-11(2)12(3)10-14/h10-12H,6-9H2,1-5H3.
What are the key properties of 7-ethoxy-2,3,7-trimethyloctanal?
7-ethoxy-2,3,7-trimethyloctanal has a molecular weight of 214.35 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2,3,7-trimethyloctanal is sourced from PubChem (CID 59560846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).