(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol

C6H12O2 — CID 10909544

IUPAC(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@]1(C)CO1
InChIInChI=1S/C6H12O2/c1-3-5(7)6(2)4-8-6/h5,7H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyJOULHMRAPSKNHJ-NTSWFWBYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds2

About (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol

(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol (PubChem CID 10909544) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
PubChem CID10909544
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@]1(C)CO1
InChIInChI=1S/C6H12O2/c1-3-5(7)6(2)4-8-6/h5,7H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyJOULHMRAPSKNHJ-NTSWFWBYSA-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

(1S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pent-3-en-1-ol
CID 131067453
(1R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentane-1,4-diol
CID 134895800
1-(2-methyloxiran-2-yl)butan-2-ol
CID 12702709
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
CID 130866295
2-(1-chloroethyl)-2-methyloxirane
CID 15212719
(2S)-2-(diethoxymethyl)-2-methyloxirane
CID 101417400
2-methyl-2-pentan-2-yloxirane
CID 139725922
1,3-bis(2-methyloxiran-2-yl)propan-2-ol
CID 88762756
N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
CID 141353079
1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol
CID 15304225
1-(2-methyloxiran-2-yl)propan-2-ol
CID 12835187
2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol
CID 57052916

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol (CID 10909544) is (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol is CC[C@H](O)[C@@]1(C)CO1.
What is the InChIKey of (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol?
The InChIKey is JOULHMRAPSKNHJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-5(7)6(2)4-8-6/h5,7H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol?
(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-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 (1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol is sourced from PubChem (CID 10909544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).