2-ethenoxy-2,4,4-trimethylpentane

C10H20O — CID 87178566

IUPAC2-ethenoxy-2,4,4-trimethylpentane
SMILESC=COC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H20O/c1-7-11-10(5,6)8-9(2,3)4/h7H,1,8H2,2-6H3
InChIKeyYLADKEYOXNWTMS-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds3

About 2-ethenoxy-2,4,4-trimethylpentane

2-ethenoxy-2,4,4-trimethylpentane (PubChem CID 87178566) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-ethenoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-ethenoxy-2,4,4-trimethylpentane
PubChem CID87178566
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-ethenoxy-2,4,4-trimethylpentane
SMILESC=COC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H20O/c1-7-11-10(5,6)8-9(2,3)4/h7H,1,8H2,2-6H3
InChIKeyYLADKEYOXNWTMS-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2-ethenoxy-2,4,4-trimethylpentane?
The IUPAC name of 2-ethenoxy-2,4,4-trimethylpentane (CID 87178566) is 2-ethenoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 2-ethenoxy-2,4,4-trimethylpentane?
The canonical SMILES for 2-ethenoxy-2,4,4-trimethylpentane is C=COC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethenoxy-2,4,4-trimethylpentane?
The InChIKey is YLADKEYOXNWTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-7-11-10(5,6)8-9(2,3)4/h7H,1,8H2,2-6H3.
What are the key properties of 2-ethenoxy-2,4,4-trimethylpentane?
2-ethenoxy-2,4,4-trimethylpentane has a molecular weight of 156.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 87178566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).