1-ethenoxy-2,2,4,4-tetramethylhexane

C12H24O — CID 123765870

IUPAC1-ethenoxy-2,2,4,4-tetramethylhexane
SMILESC=COCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C12H24O/c1-7-11(3,4)9-12(5,6)10-13-8-2/h8H,2,7,9-10H2,1,3-6H3
InChIKeyHFHADOUSDQORLL-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.00
Rot. Bonds6

About 1-ethenoxy-2,2,4,4-tetramethylhexane

1-ethenoxy-2,2,4,4-tetramethylhexane (PubChem CID 123765870) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-ethenoxy-2,2,4,4-tetramethylhexane.

Molecular Properties

Compound Name1-ethenoxy-2,2,4,4-tetramethylhexane
PubChem CID123765870
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-ethenoxy-2,2,4,4-tetramethylhexane
SMILESC=COCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C12H24O/c1-7-11(3,4)9-12(5,6)10-13-8-2/h8H,2,7,9-10H2,1,3-6H3
InChIKeyHFHADOUSDQORLL-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.00
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-2,2,4,4-tetramethylhexane?
The IUPAC name of 1-ethenoxy-2,2,4,4-tetramethylhexane (CID 123765870) is 1-ethenoxy-2,2,4,4-tetramethylhexane.
What is the SMILES notation for 1-ethenoxy-2,2,4,4-tetramethylhexane?
The canonical SMILES for 1-ethenoxy-2,2,4,4-tetramethylhexane is C=COCC(C)(C)CC(C)(C)CC.
What is the InChIKey of 1-ethenoxy-2,2,4,4-tetramethylhexane?
The InChIKey is HFHADOUSDQORLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-7-11(3,4)9-12(5,6)10-13-8-2/h8H,2,7,9-10H2,1,3-6H3.
What are the key properties of 1-ethenoxy-2,2,4,4-tetramethylhexane?
1-ethenoxy-2,2,4,4-tetramethylhexane has a molecular weight of 184.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2,4,4-tetramethylhexane is sourced from PubChem (CID 123765870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).