1-[(2S,3S)-3-propyloxiran-2-yl]ethanol

C7H14O2 — CID 130905910

IUPAC1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
SMILESCCC[C@@H]1O[C@H]1C(C)O
InChIInChI=1S/C7H14O2/c1-3-4-6-7(9-6)5(2)8/h5-8H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKeyHTMRVZFZWGFEOT-BYRXKDITSA-N
MW130.19 g/mol
LogP0.93
Rot. Bonds3

About 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol

1-[(2S,3S)-3-propyloxiran-2-yl]ethanol (PubChem CID 130905910) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
PubChem CID130905910
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
SMILESCCC[C@@H]1O[C@H]1C(C)O
InChIInChI=1S/C7H14O2/c1-3-4-6-7(9-6)5(2)8/h5-8H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKeyHTMRVZFZWGFEOT-BYRXKDITSA-N
XLogP0.93
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 ≤ 50.93
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

(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol
CID 10866612
ethyl (E)-6-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]hex-2-enoate
CID 102185236
4-(1-hydroxyethyl)-3-propyloxetan-2-one
CID 139924529
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
1-(3-propyloxiran-2-yl)pentan-2-ol
CID 174645747
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
2-octyl-3-propan-2-yloxirane
CID 123177081
2-(1-methoxypentyl)-3-propyloxirane
CID 18795101
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
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
(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol
CID 22887028

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol?
The IUPAC name of 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol (CID 130905910) is 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol.
What is the SMILES notation for 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol?
The canonical SMILES for 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol is CCC[C@@H]1O[C@H]1C(C)O.
What is the InChIKey of 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol?
The InChIKey is HTMRVZFZWGFEOT-BYRXKDITSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-6-7(9-6)5(2)8/h5-8H,3-4H2,1-2H3/t5?,6-,7-/m0/s1.
What are the key properties of 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol?
1-[(2S,3S)-3-propyloxiran-2-yl]ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-propyloxiran-2-yl]ethanol is sourced from PubChem (CID 130905910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).