1-ethenoxy-2,2-dimethyloctane

C12H24O — CID 19077771

IUPAC1-ethenoxy-2,2-dimethyloctane
SMILESC=COCC(C)(C)CCCCCC
InChIInChI=1S/C12H24O/c1-5-7-8-9-10-12(3,4)11-13-6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyDBMKFVUPRUAZOF-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds8

About 1-ethenoxy-2,2-dimethyloctane

1-ethenoxy-2,2-dimethyloctane (PubChem CID 19077771) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-ethenoxy-2,2-dimethyloctane.

Molecular Properties

Compound Name1-ethenoxy-2,2-dimethyloctane
PubChem CID19077771
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-ethenoxy-2,2-dimethyloctane
SMILESC=COCC(C)(C)CCCCCC
InChIInChI=1S/C12H24O/c1-5-7-8-9-10-12(3,4)11-13-6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyDBMKFVUPRUAZOF-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,2-dimethyloctane?
The IUPAC name of 1-ethenoxy-2,2-dimethyloctane (CID 19077771) is 1-ethenoxy-2,2-dimethyloctane.
What is the SMILES notation for 1-ethenoxy-2,2-dimethyloctane?
The canonical SMILES for 1-ethenoxy-2,2-dimethyloctane is C=COCC(C)(C)CCCCCC.
What is the InChIKey of 1-ethenoxy-2,2-dimethyloctane?
The InChIKey is DBMKFVUPRUAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-8-9-10-12(3,4)11-13-6-2/h6H,2,5,7-11H2,1,3-4H3.
What are the key properties of 1-ethenoxy-2,2-dimethyloctane?
1-ethenoxy-2,2-dimethyloctane has a molecular weight of 184.32 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-dimethyloctane is sourced from PubChem (CID 19077771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).