(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol

C6H12O3 — CID 130866295

IUPAC(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
SMILESC[C@@H](O)[C@H](O)[C@]1(C)CO1
InChIInChI=1S/C6H12O3/c1-4(7)5(8)6(2)3-9-6/h4-5,7-8H,3H2,1-2H3/t4-,5+,6+/m1/s1
InChIKeyNGBYGGMKUQCBNC-SRQIZXRXSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds2

About (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol

(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol (PubChem CID 130866295) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
PubChem CID130866295
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
SMILESC[C@@H](O)[C@H](O)[C@]1(C)CO1
InChIInChI=1S/C6H12O3/c1-4(7)5(8)6(2)3-9-6/h4-5,7-8H,3H2,1-2H3/t4-,5+,6+/m1/s1
InChIKeyNGBYGGMKUQCBNC-SRQIZXRXSA-N
XLogP-0.48
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
CID 10909544
2-(1-chloroethyl)-2-methyloxirane
CID 15212719
1-(2-methyloxiran-2-yl)propan-2-ol
CID 12835187
(1R)-1-amino-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-2-ol
CID 130731468
(1S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pent-3-en-1-ol
CID 131067453
2-methyl-2-pentan-2-yloxirane
CID 139725922
2,2-dimethyloxirane;methanol
CID 161373463
(1R,2E,4Z)-5-bromo-1-[(2S)-2-methyloxiran-2-yl]penta-2,4-dien-1-ol
CID 11378987
(1R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentane-1,4-diol
CID 134895800
(1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol
CID 101134322
(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
CID 139349129
1,3-bis(2-methyloxiran-2-yl)propan-2-ol
CID 88762756

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol?
The IUPAC name of (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol (CID 130866295) is (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol.
What is the SMILES notation for (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol?
The canonical SMILES for (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol is C[C@@H](O)[C@H](O)[C@]1(C)CO1.
What is the InChIKey of (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol?
The InChIKey is NGBYGGMKUQCBNC-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H12O3/c1-4(7)5(8)6(2)3-9-6/h4-5,7-8H,3H2,1-2H3/t4-,5+,6+/m1/s1.
What are the key properties of (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol?
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol is sourced from PubChem (CID 130866295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).