1-ethenoxy-2,4,4-trimethylpentane

C10H20O — CID 54212833

IUPAC1-ethenoxy-2,4,4-trimethylpentane
SMILESC=COCC(C)CC(C)(C)C
InChIInChI=1S/C10H20O/c1-6-11-8-9(2)7-10(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyPXCYSHLWMHYLAV-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.22
Rot. Bonds4

About 1-ethenoxy-2,4,4-trimethylpentane

1-ethenoxy-2,4,4-trimethylpentane (PubChem CID 54212833) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethenoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name1-ethenoxy-2,4,4-trimethylpentane
PubChem CID54212833
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-ethenoxy-2,4,4-trimethylpentane
SMILESC=COCC(C)CC(C)(C)C
InChIInChI=1S/C10H20O/c1-6-11-8-9(2)7-10(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyPXCYSHLWMHYLAV-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.22
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-2,4,4-trimethylpentane?
The IUPAC name of 1-ethenoxy-2,4,4-trimethylpentane (CID 54212833) is 1-ethenoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 1-ethenoxy-2,4,4-trimethylpentane?
The canonical SMILES for 1-ethenoxy-2,4,4-trimethylpentane is C=COCC(C)CC(C)(C)C.
What is the InChIKey of 1-ethenoxy-2,4,4-trimethylpentane?
The InChIKey is PXCYSHLWMHYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-11-8-9(2)7-10(3,4)5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 1-ethenoxy-2,4,4-trimethylpentane?
1-ethenoxy-2,4,4-trimethylpentane has a molecular weight of 156.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 54212833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).