1-(2-ethylhexoxy)octane

C16H34O — CID 57103538

IUPAC1-(2-ethylhexoxy)octane
SMILESCCCCCCCCOCC(CC)CCCC
InChIInChI=1S/C16H34O/c1-4-7-9-10-11-12-14-17-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3
InChIKeyRWWSWXSWYKJBCE-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.58
Rot. Bonds13

About 1-(2-ethylhexoxy)octane

1-(2-ethylhexoxy)octane (PubChem CID 57103538) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)octane.

Molecular Properties

Compound Name1-(2-ethylhexoxy)octane
PubChem CID57103538
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name1-(2-ethylhexoxy)octane
SMILESCCCCCCCCOCC(CC)CCCC
InChIInChI=1S/C16H34O/c1-4-7-9-10-11-12-14-17-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3
InChIKeyRWWSWXSWYKJBCE-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.58
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-(2-ethylhexoxy)octane?
The IUPAC name of 1-(2-ethylhexoxy)octane (CID 57103538) is 1-(2-ethylhexoxy)octane.
What is the SMILES notation for 1-(2-ethylhexoxy)octane?
The canonical SMILES for 1-(2-ethylhexoxy)octane is CCCCCCCCOCC(CC)CCCC.
What is the InChIKey of 1-(2-ethylhexoxy)octane?
The InChIKey is RWWSWXSWYKJBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-4-7-9-10-11-12-14-17-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 1-(2-ethylhexoxy)octane?
1-(2-ethylhexoxy)octane has a molecular weight of 242.45 g/mol, XLogP of 5.58, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)octane is sourced from PubChem (CID 57103538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).