(2S,3R)-2-ethynyl-3-propan-2-yloxirane

C7H10O — CID 10796715

IUPAC(2S,3R)-2-ethynyl-3-propan-2-yloxirane
SMILESC#C[C@@H]1O[C@@H]1C(C)C
InChIInChI=1S/C7H10O/c1-4-6-7(8-6)5(2)3/h1,5-7H,2-3H3/t6-,7+/m0/s1
InChIKeySDWNXSYJHCTDSZ-NKWVEPMBSA-N
MW110.16 g/mol
LogP1.04
Rot. Bonds1

About (2S,3R)-2-ethynyl-3-propan-2-yloxirane

(2S,3R)-2-ethynyl-3-propan-2-yloxirane (PubChem CID 10796715) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (2S,3R)-2-ethynyl-3-propan-2-yloxirane.

Molecular Properties

Compound Name(2S,3R)-2-ethynyl-3-propan-2-yloxirane
PubChem CID10796715
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(2S,3R)-2-ethynyl-3-propan-2-yloxirane
SMILESC#C[C@@H]1O[C@@H]1C(C)C
InChIInChI=1S/C7H10O/c1-4-6-7(8-6)5(2)3/h1,5-7H,2-3H3/t6-,7+/m0/s1
InChIKeySDWNXSYJHCTDSZ-NKWVEPMBSA-N
XLogP1.04
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,6R)-2-ethynyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 88893455
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
5-hydroxy-4-propan-2-yl-3,7-dioxabicyclo[4.1.0]heptane-2-carbonitrile
CID 143686303
(2R,3S,4R,5S)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775725
(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775785
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203
methyl (2E,4E,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,3S)-3-ethynyloxiran-2-yl]nona-2,4-dienoate
CID 56850990
2-ethyl-3-propan-2-yloxirane
CID 22934413
(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
CID 130438261
3-methyl-2,6-di(propan-2-yl)oxane
CID 144905870
2-ethynyl-5-propan-2-yl-1,3-dioxane
CID 89076528
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethynyl-3-propan-2-yloxirane?
The IUPAC name of (2S,3R)-2-ethynyl-3-propan-2-yloxirane (CID 10796715) is (2S,3R)-2-ethynyl-3-propan-2-yloxirane.
What is the SMILES notation for (2S,3R)-2-ethynyl-3-propan-2-yloxirane?
The canonical SMILES for (2S,3R)-2-ethynyl-3-propan-2-yloxirane is C#C[C@@H]1O[C@@H]1C(C)C.
What is the InChIKey of (2S,3R)-2-ethynyl-3-propan-2-yloxirane?
The InChIKey is SDWNXSYJHCTDSZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H10O/c1-4-6-7(8-6)5(2)3/h1,5-7H,2-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-2-ethynyl-3-propan-2-yloxirane?
(2S,3R)-2-ethynyl-3-propan-2-yloxirane has a molecular weight of 110.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethynyl-3-propan-2-yloxirane is sourced from PubChem (CID 10796715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).