2-methyloxirane;prop-2-yn-1-ol

C6H10O2 — CID 57349557

IUPAC2-methyloxirane;prop-2-yn-1-ol
SMILESC#CCO.CC1CO1
InChIInChI=1S/C3H6O.C3H4O/c1-3-2-4-3;1-2-3-4/h3H,2H2,1H3;1,4H,3H2
InChIKeyLFENQIALHBGPRG-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.02
Rot. Bonds

About 2-methyloxirane;prop-2-yn-1-ol

2-methyloxirane;prop-2-yn-1-ol (PubChem CID 57349557) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methyloxirane;prop-2-yn-1-ol.

Molecular Properties

Compound Name2-methyloxirane;prop-2-yn-1-ol
PubChem CID57349557
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methyloxirane;prop-2-yn-1-ol
SMILESC#CCO.CC1CO1
InChIInChI=1S/C3H6O.C3H4O/c1-3-2-4-3;1-2-3-4/h3H,2H2,1H3;1,4H,3H2
InChIKeyLFENQIALHBGPRG-UHFFFAOYSA-N
XLogP0.02
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Oxirane;prop-2-yn-1-ol
CID 88711516
But-2-yne-1,4-diol;2-methyloxirane
CID 170852278
Cyjyvcdboiuerw-uhfffaoysa-
CID 11344025
Propylene oxide-methanol
CID 19098831
6-Methoxy-3-hexyne-2-ol
CID 58121301
But-3-yn-2-ol;propan-2-ol
CID 159855235
(4S)-4-methoxypent-2-yn-1-ol
CID 130779626
(4R)-4-methoxypent-2-yn-1-ol
CID 135046125
5-Methoxy-hex-3-yn-2-ol
CID 164888523
3-Butyn-2-ol, 4-ethoxy-
CID 351720
2-Methyloxirane;propan-2-ol
CID 18328193
2-Ethyloxirane;methanol
CID 19104627

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;prop-2-yn-1-ol?
The IUPAC name of 2-methyloxirane;prop-2-yn-1-ol (CID 57349557) is 2-methyloxirane;prop-2-yn-1-ol.
What is the SMILES notation for 2-methyloxirane;prop-2-yn-1-ol?
The canonical SMILES for 2-methyloxirane;prop-2-yn-1-ol is C#CCO.CC1CO1.
What is the InChIKey of 2-methyloxirane;prop-2-yn-1-ol?
The InChIKey is LFENQIALHBGPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H4O/c1-3-2-4-3;1-2-3-4/h3H,2H2,1H3;1,4H,3H2.
What are the key properties of 2-methyloxirane;prop-2-yn-1-ol?
2-methyloxirane;prop-2-yn-1-ol has a molecular weight of 114.14 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;prop-2-yn-1-ol is sourced from PubChem (CID 57349557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).