1-(2-methyloxiran-2-yl)propan-2-ol

C6H12O2 — CID 12835187

IUPAC1-(2-methyloxiran-2-yl)propan-2-ol
SMILESCC(O)CC1(C)CO1
InChIInChI=1S/C6H12O2/c1-5(7)3-6(2)4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyYRDQUARXBVPFEL-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-methyloxiran-2-yl)propan-2-ol

1-(2-methyloxiran-2-yl)propan-2-ol (PubChem CID 12835187) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(2-methyloxiran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyloxiran-2-yl)propan-2-ol
PubChem CID12835187
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-(2-methyloxiran-2-yl)propan-2-ol
SMILESCC(O)CC1(C)CO1
InChIInChI=1S/C6H12O2/c1-5(7)3-6(2)4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyYRDQUARXBVPFEL-UHFFFAOYSA-N
XLogP0.55
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-methyloxiran-2-yl)propan-2-ol
CID 88762756
1-(2-methyloxiran-2-yl)butan-2-ol
CID 12702709
1-(2,5-dimethylmorpholin-2-yl)propan-2-ol
CID 123721981
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
1-(1-aminocyclobutyl)propan-2-ol
CID 55284401
1-(1-aminocycloheptyl)propan-2-ol
CID 115013932
2-bromo-1-[(2-methyloxiran-2-yl)methoxy]ethanol
CID 126552956
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
CID 130866295
(2S)-2-(chloromethyl)-2-methyloxirane
CID 7164677
(2-methyloxiran-2-yl)methanethiol
CID 141439358
1-(4-amino-1-ethylpiperidin-4-yl)propan-2-ol
CID 155709822
2-(2-methyloxiran-2-yl)acetic acid
CID 87261352

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxiran-2-yl)propan-2-ol?
The IUPAC name of 1-(2-methyloxiran-2-yl)propan-2-ol (CID 12835187) is 1-(2-methyloxiran-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methyloxiran-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-methyloxiran-2-yl)propan-2-ol is CC(O)CC1(C)CO1.
What is the InChIKey of 1-(2-methyloxiran-2-yl)propan-2-ol?
The InChIKey is YRDQUARXBVPFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(7)3-6(2)4-8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(2-methyloxiran-2-yl)propan-2-ol?
1-(2-methyloxiran-2-yl)propan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxiran-2-yl)propan-2-ol is sourced from PubChem (CID 12835187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).