6-ethenoxy-2,6-dimethyloctane

C12H24O — CID 18387004

IUPAC6-ethenoxy-2,6-dimethyloctane
SMILESC=COC(C)(CC)CCCC(C)C
InChIInChI=1S/C12H24O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyLPCIQGCMSCLHKB-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds7

About 6-ethenoxy-2,6-dimethyloctane

6-ethenoxy-2,6-dimethyloctane (PubChem CID 18387004) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 6-ethenoxy-2,6-dimethyloctane.

Molecular Properties

Compound Name6-ethenoxy-2,6-dimethyloctane
PubChem CID18387004
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name6-ethenoxy-2,6-dimethyloctane
SMILESC=COC(C)(CC)CCCC(C)C
InChIInChI=1S/C12H24O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyLPCIQGCMSCLHKB-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-ethenoxy-2,6-dimethyloctane 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 6-ethenoxy-2,6-dimethyloctane?
The IUPAC name of 6-ethenoxy-2,6-dimethyloctane (CID 18387004) is 6-ethenoxy-2,6-dimethyloctane.
What is the SMILES notation for 6-ethenoxy-2,6-dimethyloctane?
The canonical SMILES for 6-ethenoxy-2,6-dimethyloctane is C=COC(C)(CC)CCCC(C)C.
What is the InChIKey of 6-ethenoxy-2,6-dimethyloctane?
The InChIKey is LPCIQGCMSCLHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of 6-ethenoxy-2,6-dimethyloctane?
6-ethenoxy-2,6-dimethyloctane has a molecular weight of 184.32 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxy-2,6-dimethyloctane is sourced from PubChem (CID 18387004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).