[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol

C7H14O2 — CID 14959485

IUPAC[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
SMILESCCC[C@H]1O[C@@]1(C)CO
InChIInChI=1S/C7H14O2/c1-3-4-6-7(2,5-8)9-6/h6,8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyBDFUJVIXRMRZOD-RQJHMYQMSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds3

About [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol

[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol (PubChem CID 14959485) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
PubChem CID14959485
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
SMILESCCC[C@H]1O[C@@]1(C)CO
InChIInChI=1S/C7H14O2/c1-3-4-6-7(2,5-8)9-6/h6,8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyBDFUJVIXRMRZOD-RQJHMYQMSA-N
XLogP0.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
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

(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
[(2S,3S)-3-[(3S)-3,5-dimethylhexyl]-2-methyloxiran-2-yl]methanol
CID 11790226
(1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol
CID 131106246
2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol
CID 130148007
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
CID 15441965
3-ethyl-2-propyloxetan-3-ol
CID 22138124
actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate
CID 23235441
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol (CID 14959485) is [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol is CCC[C@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol?
The InChIKey is BDFUJVIXRMRZOD-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-6-7(2,5-8)9-6/h6,8H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol?
[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol is sourced from PubChem (CID 14959485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).