1-ethenoxy-2,2-dimethylhexane

C10H20O — CID 19077776

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

About 1-ethenoxy-2,2-dimethylhexane

1-ethenoxy-2,2-dimethylhexane (PubChem CID 19077776) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethenoxy-2,2-dimethylhexane.

Molecular Properties

Compound Name1-ethenoxy-2,2-dimethylhexane
PubChem CID19077776
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-ethenoxy-2,2-dimethylhexane
SMILESC=COCC(C)(C)CCCC
InChIInChI=1S/C10H20O/c1-5-7-8-10(3,4)9-11-6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeyYHJIMDDBZVILDY-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,2-dimethylhexane?
The IUPAC name of 1-ethenoxy-2,2-dimethylhexane (CID 19077776) is 1-ethenoxy-2,2-dimethylhexane.
What is the SMILES notation for 1-ethenoxy-2,2-dimethylhexane?
The canonical SMILES for 1-ethenoxy-2,2-dimethylhexane is C=COCC(C)(C)CCCC.
What is the InChIKey of 1-ethenoxy-2,2-dimethylhexane?
The InChIKey is YHJIMDDBZVILDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-8-10(3,4)9-11-6-2/h6H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-ethenoxy-2,2-dimethylhexane?
1-ethenoxy-2,2-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-2,2-dimethylhexane is sourced from PubChem (CID 19077776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).