3-ethenoxy-2,4-dimethylpentane

C9H18O — CID 19077772

IUPAC3-ethenoxy-2,4-dimethylpentane
SMILESC=COC(C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-6-10-9(7(2)3)8(4)5/h6-9H,1H2,2-5H3
InChIKeyCWVCFFRZNFTMBC-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.83
Rot. Bonds4

About 3-ethenoxy-2,4-dimethylpentane

3-ethenoxy-2,4-dimethylpentane (PubChem CID 19077772) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-ethenoxy-2,4-dimethylpentane.

Molecular Properties

Compound Name3-ethenoxy-2,4-dimethylpentane
PubChem CID19077772
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-ethenoxy-2,4-dimethylpentane
SMILESC=COC(C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-6-10-9(7(2)3)8(4)5/h6-9H,1H2,2-5H3
InChIKeyCWVCFFRZNFTMBC-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-ethenoxy-2,4-dimethylpentane 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 3-ethenoxy-2,4-dimethylpentane?
The IUPAC name of 3-ethenoxy-2,4-dimethylpentane (CID 19077772) is 3-ethenoxy-2,4-dimethylpentane.
What is the SMILES notation for 3-ethenoxy-2,4-dimethylpentane?
The canonical SMILES for 3-ethenoxy-2,4-dimethylpentane is C=COC(C(C)C)C(C)C.
What is the InChIKey of 3-ethenoxy-2,4-dimethylpentane?
The InChIKey is CWVCFFRZNFTMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-10-9(7(2)3)8(4)5/h6-9H,1H2,2-5H3.
What are the key properties of 3-ethenoxy-2,4-dimethylpentane?
3-ethenoxy-2,4-dimethylpentane has a molecular weight of 142.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2,4-dimethylpentane is sourced from PubChem (CID 19077772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).