3-ethenoxy-2,3-dimethylpentane

C9H18O — CID 87975261

IUPAC3-ethenoxy-2,3-dimethylpentane
SMILESC=COC(C)(CC)C(C)C
InChIInChI=1S/C9H18O/c1-6-9(5,8(3)4)10-7-2/h7-8H,2,6H2,1,3-5H3
InChIKeyJDFUOFPGVJLZOJ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds4

About 3-ethenoxy-2,3-dimethylpentane

3-ethenoxy-2,3-dimethylpentane (PubChem CID 87975261) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-ethenoxy-2,3-dimethylpentane.

Molecular Properties

Compound Name3-ethenoxy-2,3-dimethylpentane
PubChem CID87975261
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-ethenoxy-2,3-dimethylpentane
SMILESC=COC(C)(CC)C(C)C
InChIInChI=1S/C9H18O/c1-6-9(5,8(3)4)10-7-2/h7-8H,2,6H2,1,3-5H3
InChIKeyJDFUOFPGVJLZOJ-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
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 3-ethenoxy-2,3-dimethylpentane?
The IUPAC name of 3-ethenoxy-2,3-dimethylpentane (CID 87975261) is 3-ethenoxy-2,3-dimethylpentane.
What is the SMILES notation for 3-ethenoxy-2,3-dimethylpentane?
The canonical SMILES for 3-ethenoxy-2,3-dimethylpentane is C=COC(C)(CC)C(C)C.
What is the InChIKey of 3-ethenoxy-2,3-dimethylpentane?
The InChIKey is JDFUOFPGVJLZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-9(5,8(3)4)10-7-2/h7-8H,2,6H2,1,3-5H3.
What are the key properties of 3-ethenoxy-2,3-dimethylpentane?
3-ethenoxy-2,3-dimethylpentane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2,3-dimethylpentane is sourced from PubChem (CID 87975261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).