(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol

C9H18O2 — CID 10866612

IUPAC(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol
SMILESCCC[C@H]1O[C@@H]1[C@H](O)C(C)C
InChIInChI=1S/C9H18O2/c1-4-5-7-9(11-7)8(10)6(2)3/h6-10H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyNPUVLKZCGBTCJF-HLTSFMKQSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds4

About (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol

(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol (PubChem CID 10866612) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol
PubChem CID10866612
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol
SMILESCCC[C@H]1O[C@@H]1[C@H](O)C(C)C
InChIInChI=1S/C9H18O2/c1-4-5-7-9(11-7)8(10)6(2)3/h6-10H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyNPUVLKZCGBTCJF-HLTSFMKQSA-N
XLogP1.57
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol with MolForge

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Related Compounds

1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
CID 130905910
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
1-(3-propyloxiran-2-yl)pentan-2-ol
CID 174645747
2-octyl-3-propan-2-yloxirane
CID 123177081
2-(1-methoxypentyl)-3-propyloxirane
CID 18795101
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
(2S,3R)-2-(bromomethyl)-3-propyloxirane
CID 11073978
2,2-difluoro-3-hydroxy-3-[(2S,3R)-3-propyloxiran-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 101265821
(E,1R)-1-[(2R,3S)-3-pentyloxiran-2-yl]but-2-en-1-ol
CID 10679063
2-ethyl-3-propan-2-yloxirane
CID 22934413
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
(3R)-3-propyloxirane-2-carboxylic acid
CID 54567542

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol?
The IUPAC name of (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol (CID 10866612) is (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol?
The canonical SMILES for (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol is CCC[C@H]1O[C@@H]1[C@H](O)C(C)C.
What is the InChIKey of (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol?
The InChIKey is NPUVLKZCGBTCJF-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-7-9(11-7)8(10)6(2)3/h6-10H,4-5H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol?
(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol is sourced from PubChem (CID 10866612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).