1-ethenoxy-4,4-dimethylhexane

C10H20O — CID 20811170

IUPAC1-ethenoxy-4,4-dimethylhexane
SMILESC=COCCCC(C)(C)CC
InChIInChI=1S/C10H20O/c1-5-10(3,4)8-7-9-11-6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeySYHDVAIANMNNLU-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds6

About 1-ethenoxy-4,4-dimethylhexane

1-ethenoxy-4,4-dimethylhexane (PubChem CID 20811170) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethenoxy-4,4-dimethylhexane.

Molecular Properties

Compound Name1-ethenoxy-4,4-dimethylhexane
PubChem CID20811170
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-ethenoxy-4,4-dimethylhexane
SMILESC=COCCCC(C)(C)CC
InChIInChI=1S/C10H20O/c1-5-10(3,4)8-7-9-11-6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeySYHDVAIANMNNLU-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.36
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-ethenoxy-4,4-dimethylhexane 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-ethenoxy-4,4-dimethylhexane?
The IUPAC name of 1-ethenoxy-4,4-dimethylhexane (CID 20811170) is 1-ethenoxy-4,4-dimethylhexane.
What is the SMILES notation for 1-ethenoxy-4,4-dimethylhexane?
The canonical SMILES for 1-ethenoxy-4,4-dimethylhexane is C=COCCCC(C)(C)CC.
What is the InChIKey of 1-ethenoxy-4,4-dimethylhexane?
The InChIKey is SYHDVAIANMNNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-10(3,4)8-7-9-11-6-2/h6H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-ethenoxy-4,4-dimethylhexane?
1-ethenoxy-4,4-dimethylhexane has a molecular weight of 156.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4,4-dimethylhexane is sourced from PubChem (CID 20811170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).