1-(2-ethylhex-1-enoxy)octane

C16H32O — CID 57072324

IUPAC1-(2-ethylhex-1-enoxy)octane
SMILESCCCCCCCCOC=C(CC)CCCC
InChIInChI=1S/C16H32O/c1-4-7-9-10-11-12-14-17-15-16(6-3)13-8-5-2/h15H,4-14H2,1-3H3
InChIKeyBUXDBDMAICYQLB-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.85
Rot. Bonds12

About 1-(2-ethylhex-1-enoxy)octane

1-(2-ethylhex-1-enoxy)octane (PubChem CID 57072324) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2-ethylhex-1-enoxy)octane.

Molecular Properties

Compound Name1-(2-ethylhex-1-enoxy)octane
PubChem CID57072324
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-(2-ethylhex-1-enoxy)octane
SMILESCCCCCCCCOC=C(CC)CCCC
InChIInChI=1S/C16H32O/c1-4-7-9-10-11-12-14-17-15-16(6-3)13-8-5-2/h15H,4-14H2,1-3H3
InChIKeyBUXDBDMAICYQLB-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-ethylhex-1-enoxy)octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhex-1-enoxy)octane?
The IUPAC name of 1-(2-ethylhex-1-enoxy)octane (CID 57072324) is 1-(2-ethylhex-1-enoxy)octane.
What is the SMILES notation for 1-(2-ethylhex-1-enoxy)octane?
The canonical SMILES for 1-(2-ethylhex-1-enoxy)octane is CCCCCCCCOC=C(CC)CCCC.
What is the InChIKey of 1-(2-ethylhex-1-enoxy)octane?
The InChIKey is BUXDBDMAICYQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-7-9-10-11-12-14-17-15-16(6-3)13-8-5-2/h15H,4-14H2,1-3H3.
What are the key properties of 1-(2-ethylhex-1-enoxy)octane?
1-(2-ethylhex-1-enoxy)octane has a molecular weight of 240.43 g/mol, XLogP of 5.85, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhex-1-enoxy)octane is sourced from PubChem (CID 57072324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).