3-ethynyl-2,2-di(propan-2-yl)oxirane

C10H16O — CID 134927850

IUPAC3-ethynyl-2,2-di(propan-2-yl)oxirane
SMILESC#CC1OC1(C(C)C)C(C)C
InChIInChI=1S/C10H16O/c1-6-9-10(11-9,7(2)3)8(4)5/h1,7-9H,2-5H3
InChIKeyUJLVIXYISDZCMD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.07
Rot. Bonds2

About 3-ethynyl-2,2-di(propan-2-yl)oxirane

3-ethynyl-2,2-di(propan-2-yl)oxirane (PubChem CID 134927850) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethynyl-2,2-di(propan-2-yl)oxirane.

Molecular Properties

Compound Name3-ethynyl-2,2-di(propan-2-yl)oxirane
PubChem CID134927850
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-ethynyl-2,2-di(propan-2-yl)oxirane
SMILESC#CC1OC1(C(C)C)C(C)C
InChIInChI=1S/C10H16O/c1-6-9-10(11-9,7(2)3)8(4)5/h1,7-9H,2-5H3
InChIKeyUJLVIXYISDZCMD-UHFFFAOYSA-N
XLogP2.07
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.07
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

1-Heptyne, 3-ethoxy-3,4-dimethyl-
CID 566237
(2R,3R)-2-ethynyl-3-propan-2-yloxirane
CID 10654186
4,5-Epoxy-3-methyl-1-hexyne
CID 12271346
2,3-Dimethyl-2-prop-2-ynyloxirane
CID 12271349
(2R,3S)-2-ethynyl-3-propan-2-yloxirane
CID 134879284
2-[3,3-Di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane
CID 134992974
2,2-Ditert-butyl-3-ethynyloxirane
CID 134996094
1-Hexyne, 3-ethoxy-3,4-dimethyl-
CID 550222
4-(3,3-Dimethyl-2-isopropyloxiranyl)-3-butyn-2-ol
CID 71439169
2-Methyl-2,3-di(propan-2-yl)oxirane
CID 18716113
(2S,3S)-2-methyl-2,3-di(propan-2-yl)oxirane
CID 58380805
(2R,3R)-2-methyl-2,3-di(propan-2-yl)oxirane
CID 58798005

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-2,2-di(propan-2-yl)oxirane?
The IUPAC name of 3-ethynyl-2,2-di(propan-2-yl)oxirane (CID 134927850) is 3-ethynyl-2,2-di(propan-2-yl)oxirane.
What is the SMILES notation for 3-ethynyl-2,2-di(propan-2-yl)oxirane?
The canonical SMILES for 3-ethynyl-2,2-di(propan-2-yl)oxirane is C#CC1OC1(C(C)C)C(C)C.
What is the InChIKey of 3-ethynyl-2,2-di(propan-2-yl)oxirane?
The InChIKey is UJLVIXYISDZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-9-10(11-9,7(2)3)8(4)5/h1,7-9H,2-5H3.
What are the key properties of 3-ethynyl-2,2-di(propan-2-yl)oxirane?
3-ethynyl-2,2-di(propan-2-yl)oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-2,2-di(propan-2-yl)oxirane is sourced from PubChem (CID 134927850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).