2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-

C10H16O — CID 114570

IUPAC2-ethynyl-2,6,6-trimethyloxane
SMILESCC1(CCCC(O1)(C)C#C)C
InChIInChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3
InChIKeyXSDYMDMXNRPZHU-UHFFFAOYSA-N
MW152.23 g/mol
LogP1.90
Rot. Bonds1

About 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-

2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- (PubChem CID 114570) has the molecular formula C10H16O and a molecular weight of 152.23 g/mol. Its IUPAC name is 2-ethynyl-2,6,6-trimethyloxane.

Molecular Properties

Compound Name2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-
PubChem CID114570
Molecular FormulaC10H16O
Molecular Weight152.23 g/mol
Exact Mass152.12
IUPAC Name2-ethynyl-2,6,6-trimethyloxane
SMILESCC1(CCCC(O1)(C)C#C)C
InChIInChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3
InChIKeyXSDYMDMXNRPZHU-UHFFFAOYSA-N
XLogP1.90
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 51.90
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

2-Methyl-4-(tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-3-butyn-2-ol
CID 2832770
4-Ethynyl-2,2,6,6-tetramethyloxane
CID 126970550
2,2,6,6-Tetramethyloxane
CID 12593435
2,2'-buta-1,3-diyne-1,4-diylbis(2,6,6-trimethyltetrahydro-2H-pyran)
CID 5311753
(2S)-2-ethynyl-2,6,6-trimethyloxane
CID 6580321
3-Methyl-3-[(2-methylpropan-2-yl)oxy]oct-1-yne
CID 20430988
(3R)-3-methyl-3-[(2-methylpropan-2-yl)oxy]oct-1-yne
CID 22821239
(3S)-3-methyl-3-[(2-methylpropan-2-yl)oxy]oct-1-yne
CID 53858676
4-Ethynyl-2,2,6,6-tetramethyl-tetrahydro-pyran-4-ol
CID 117875111
2,2,6,6-Tetramethyloxane;hydrochloride
CID 142494360
Ethane;2-ethynyl-2,6,6-trimethyloxane
CID 145135988
3-Methoxy-3,7-dimethyloct-1-yne
CID 154309432

Frequently Asked Questions

What is the IUPAC name of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
The IUPAC name of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- (CID 114570) is 2-ethynyl-2,6,6-trimethyloxane.
What is the SMILES notation for 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
The canonical SMILES for 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- is CC1(CCCC(O1)(C)C#C)C.
What is the InChIKey of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
The InChIKey is XSDYMDMXNRPZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3.
What are the key properties of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- has a molecular weight of 152.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- is sourced from PubChem (CID 114570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).