(2S)-2-ethynyl-2,6,6-trimethyloxane

C10H16O — CID 6580321

IUPAC(2S)-2-ethynyl-2,6,6-trimethyloxane
SMILESC#C[C@]1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3/t10-/m1/s1
InChIKeyXSDYMDMXNRPZHU-SNVBAGLBSA-N
MW152.24 g/mol
LogP2.36
Rot. Bonds

About (2S)-2-ethynyl-2,6,6-trimethyloxane

(2S)-2-ethynyl-2,6,6-trimethyloxane (PubChem CID 6580321) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S)-2-ethynyl-2,6,6-trimethyloxane.

Molecular Properties

Compound Name(2S)-2-ethynyl-2,6,6-trimethyloxane
PubChem CID6580321
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S)-2-ethynyl-2,6,6-trimethyloxane
SMILESC#C[C@]1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3/t10-/m1/s1
InChIKeyXSDYMDMXNRPZHU-SNVBAGLBSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethynyl-2,6,6-trimethyloxane?
The IUPAC name of (2S)-2-ethynyl-2,6,6-trimethyloxane (CID 6580321) is (2S)-2-ethynyl-2,6,6-trimethyloxane.
What is the SMILES notation for (2S)-2-ethynyl-2,6,6-trimethyloxane?
The canonical SMILES for (2S)-2-ethynyl-2,6,6-trimethyloxane is C#C[C@]1(C)CCCC(C)(C)O1.
What is the InChIKey of (2S)-2-ethynyl-2,6,6-trimethyloxane?
The InChIKey is XSDYMDMXNRPZHU-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (2S)-2-ethynyl-2,6,6-trimethyloxane?
(2S)-2-ethynyl-2,6,6-trimethyloxane has a molecular weight of 152.24 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethynyl-2,6,6-trimethyloxane is sourced from PubChem (CID 6580321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).