2-ethylhex-1-enoxycyclohexane

C14H26O — CID 57222127

IUPAC2-ethylhex-1-enoxycyclohexane
SMILESCCCCC(=COC1CCCCC1)CC
InChIInChI=1S/C14H26O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h12,14H,3-11H2,1-2H3
InChIKeyVWWUQVLEWNLSJQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.82
Rot. Bonds6

About 2-ethylhex-1-enoxycyclohexane

2-ethylhex-1-enoxycyclohexane (PubChem CID 57222127) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-ethylhex-1-enoxycyclohexane.

Molecular Properties

Compound Name2-ethylhex-1-enoxycyclohexane
PubChem CID57222127
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-ethylhex-1-enoxycyclohexane
SMILESCCCCC(=COC1CCCCC1)CC
InChIInChI=1S/C14H26O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h12,14H,3-11H2,1-2H3
InChIKeyVWWUQVLEWNLSJQ-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethylhex-1-enoxycyclohexane 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 2-ethylhex-1-enoxycyclohexane?
The IUPAC name of 2-ethylhex-1-enoxycyclohexane (CID 57222127) is 2-ethylhex-1-enoxycyclohexane.
What is the SMILES notation for 2-ethylhex-1-enoxycyclohexane?
The canonical SMILES for 2-ethylhex-1-enoxycyclohexane is CCCCC(=COC1CCCCC1)CC.
What is the InChIKey of 2-ethylhex-1-enoxycyclohexane?
The InChIKey is VWWUQVLEWNLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-ethylhex-1-enoxycyclohexane?
2-ethylhex-1-enoxycyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhex-1-enoxycyclohexane is sourced from PubChem (CID 57222127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).