1-ethenoxy-4,4,6,6-tetramethyloctane

C14H28O — CID 123195699

IUPAC1-ethenoxy-4,4,6,6-tetramethyloctane
SMILESC=COCCCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C14H28O/c1-7-13(3,4)12-14(5,6)10-9-11-15-8-2/h8H,2,7,9-12H2,1,3-6H3
InChIKeyJSYOCWDMJWGDOF-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.78
Rot. Bonds8

About 1-ethenoxy-4,4,6,6-tetramethyloctane

1-ethenoxy-4,4,6,6-tetramethyloctane (PubChem CID 123195699) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-ethenoxy-4,4,6,6-tetramethyloctane.

Molecular Properties

Compound Name1-ethenoxy-4,4,6,6-tetramethyloctane
PubChem CID123195699
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-ethenoxy-4,4,6,6-tetramethyloctane
SMILESC=COCCCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C14H28O/c1-7-13(3,4)12-14(5,6)10-9-11-15-8-2/h8H,2,7,9-12H2,1,3-6H3
InChIKeyJSYOCWDMJWGDOF-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.78
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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Related Compounds

Isooctane, (ethenyloxy)-
CID 296393
Ether, 2,6,8-trimethylnonyl vinyl
CID 25002
Chdmdve
CID 21867826
2-Pentylnonyl vinyl ether
CID 90318820
1-Ethenoxy-3-ethyl-1-fluorodecane
CID 141117770
7-Ethenoxy-1,1,1,2-tetrafluoro-2,4,4-trimethylheptane
CID 169989576
1-Ethenoxy-3,7-dimethyloctane
CID 101959415
1-Ethenoxy-10-methylundecane
CID 14454736
1-Ethenoxy-11-methyldodecane
CID 14454738
3-Ethenoxy-3-methyloctane
CID 18690634
1-Ethenoxy-2,2-dimethyldodecane
CID 19077766
1-Ethenoxy-2,2-dimethyltetradecane
CID 19077767

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4,4,6,6-tetramethyloctane?
The IUPAC name of 1-ethenoxy-4,4,6,6-tetramethyloctane (CID 123195699) is 1-ethenoxy-4,4,6,6-tetramethyloctane.
What is the SMILES notation for 1-ethenoxy-4,4,6,6-tetramethyloctane?
The canonical SMILES for 1-ethenoxy-4,4,6,6-tetramethyloctane is C=COCCCC(C)(C)CC(C)(C)CC.
What is the InChIKey of 1-ethenoxy-4,4,6,6-tetramethyloctane?
The InChIKey is JSYOCWDMJWGDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-7-13(3,4)12-14(5,6)10-9-11-15-8-2/h8H,2,7,9-12H2,1,3-6H3.
What are the key properties of 1-ethenoxy-4,4,6,6-tetramethyloctane?
1-ethenoxy-4,4,6,6-tetramethyloctane has a molecular weight of 212.38 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4,4,6,6-tetramethyloctane is sourced from PubChem (CID 123195699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).