4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane

C14H26O — CID 171849064

IUPAC4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane
SMILESC=C(C)C1(CC)CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H26O/c1-8-14(11(2)3)9-12(4,5)15-13(6,7)10-14/h2,8-10H2,1,3-7H3
InChIKeyHOBQHNGDJMUYDI-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds2

About 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane

4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane (PubChem CID 171849064) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane.

Molecular Properties

Compound Name4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane
PubChem CID171849064
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane
SMILESC=C(C)C1(CC)CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H26O/c1-8-14(11(2)3)9-12(4,5)15-13(6,7)10-14/h2,8-10H2,1,3-7H3
InChIKeyHOBQHNGDJMUYDI-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane?
The IUPAC name of 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane (CID 171849064) is 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane.
What is the SMILES notation for 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane?
The canonical SMILES for 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane is C=C(C)C1(CC)CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane?
The InChIKey is HOBQHNGDJMUYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-8-14(11(2)3)9-12(4,5)15-13(6,7)10-14/h2,8-10H2,1,3-7H3.
What are the key properties of 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane?
4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,6,6-tetramethyl-4-prop-1-en-2-yloxane is sourced from PubChem (CID 171849064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).