2-ethenoxy-5-ethylnonane

C13H26O — CID 19077760

IUPAC2-ethenoxy-5-ethylnonane
SMILESC=COC(C)CCC(CC)CCCC
InChIInChI=1S/C13H26O/c1-5-8-9-13(6-2)11-10-12(4)14-7-3/h7,12-13H,3,5-6,8-11H2,1-2,4H3
InChIKeyKCAHZJOADZUUDY-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.53
Rot. Bonds9

About 2-ethenoxy-5-ethylnonane

2-ethenoxy-5-ethylnonane (PubChem CID 19077760) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-ethenoxy-5-ethylnonane.

Molecular Properties

Compound Name2-ethenoxy-5-ethylnonane
PubChem CID19077760
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-ethenoxy-5-ethylnonane
SMILESC=COC(C)CCC(CC)CCCC
InChIInChI=1S/C13H26O/c1-5-8-9-13(6-2)11-10-12(4)14-7-3/h7,12-13H,3,5-6,8-11H2,1-2,4H3
InChIKeyKCAHZJOADZUUDY-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-5-ethylnonane?
The IUPAC name of 2-ethenoxy-5-ethylnonane (CID 19077760) is 2-ethenoxy-5-ethylnonane.
What is the SMILES notation for 2-ethenoxy-5-ethylnonane?
The canonical SMILES for 2-ethenoxy-5-ethylnonane is C=COC(C)CCC(CC)CCCC.
What is the InChIKey of 2-ethenoxy-5-ethylnonane?
The InChIKey is KCAHZJOADZUUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-8-9-13(6-2)11-10-12(4)14-7-3/h7,12-13H,3,5-6,8-11H2,1-2,4H3.
What are the key properties of 2-ethenoxy-5-ethylnonane?
2-ethenoxy-5-ethylnonane has a molecular weight of 198.35 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-5-ethylnonane is sourced from PubChem (CID 19077760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).