1-ethoxyheptane

C9H20O — CID 519677

IUPAC1-ethoxyheptane
SMILESCCCCCCCOCC
InChIInChI=1S/C9H20O/c1-3-5-6-7-8-9-10-4-2/h3-9H2,1-2H3
InChIKeyUTBWZYCUAYXAKT-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds7

About 1-ethoxyheptane

1-ethoxyheptane (PubChem CID 519677) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-ethoxyheptane.

Molecular Properties

Compound Name1-ethoxyheptane
PubChem CID519677
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name1-ethoxyheptane
SMILESCCCCCCCOCC
InChIInChI=1S/C9H20O/c1-3-5-6-7-8-9-10-4-2/h3-9H2,1-2H3
InChIKeyUTBWZYCUAYXAKT-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyheptane?
The IUPAC name of 1-ethoxyheptane (CID 519677) is 1-ethoxyheptane.
What is the SMILES notation for 1-ethoxyheptane?
The canonical SMILES for 1-ethoxyheptane is CCCCCCCOCC.
What is the InChIKey of 1-ethoxyheptane?
The InChIKey is UTBWZYCUAYXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-3-5-6-7-8-9-10-4-2/h3-9H2,1-2H3.
What are the key properties of 1-ethoxyheptane?
1-ethoxyheptane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyheptane is sourced from PubChem (CID 519677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).