2,6-diethyl-4-ethynyloxane

C11H18O — CID 174183967

IUPAC2,6-diethyl-4-ethynyloxane
SMILESC#CC1CC(CC)OC(CC)C1
InChIInChI=1S/C11H18O/c1-4-9-7-10(5-2)12-11(6-3)8-9/h1,9-11H,5-8H2,2-3H3
InChIKeyXOXHZIKZMWBJHN-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.60
Rot. Bonds2

About 2,6-diethyl-4-ethynyloxane

2,6-diethyl-4-ethynyloxane (PubChem CID 174183967) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,6-diethyl-4-ethynyloxane.

Molecular Properties

Compound Name2,6-diethyl-4-ethynyloxane
PubChem CID174183967
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,6-diethyl-4-ethynyloxane
SMILESC#CC1CC(CC)OC(CC)C1
InChIInChI=1S/C11H18O/c1-4-9-7-10(5-2)12-11(6-3)8-9/h1,9-11H,5-8H2,2-3H3
InChIKeyXOXHZIKZMWBJHN-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyloxetan-2-ol
CID 151879220
1-ethyl-3-ethynylcyclopentane
CID 143708095
N-ethyl-3-ethynylcyclobutan-1-amine
CID 166930069
4,6-diethyloxan-2-ol
CID 90730118
5-ethyl-2-methyloxolan-3-amine
CID 59712801
2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium
CID 20663775
(2R)-2,4-diethyl-6-methyloxane
CID 142157327
1-ethynyl-3-propan-2-ylcyclobutane
CID 176753100
2-ethyl-5-(iodomethyl)oxolane
CID 130582736
(2S,6R)-2,6-diethyl-4-methylmorpholine
CID 152824903
2-ethyl-5-[(5-ethyloxolan-2-yl)methoxymethyl]oxolane
CID 164901003
2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium
CID 59503941

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-ethynyloxane?
The IUPAC name of 2,6-diethyl-4-ethynyloxane (CID 174183967) is 2,6-diethyl-4-ethynyloxane.
What is the SMILES notation for 2,6-diethyl-4-ethynyloxane?
The canonical SMILES for 2,6-diethyl-4-ethynyloxane is C#CC1CC(CC)OC(CC)C1.
What is the InChIKey of 2,6-diethyl-4-ethynyloxane?
The InChIKey is XOXHZIKZMWBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-9-7-10(5-2)12-11(6-3)8-9/h1,9-11H,5-8H2,2-3H3.
What are the key properties of 2,6-diethyl-4-ethynyloxane?
2,6-diethyl-4-ethynyloxane has a molecular weight of 166.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-ethynyloxane is sourced from PubChem (CID 174183967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).