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

C8H16O2 — CID 131106246

IUPAC(1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol
SMILESCCC[C@@H]1O[C@@]1(C)[C@@H](C)O
InChIInChI=1S/C8H16O2/c1-4-5-7-8(3,10-7)6(2)9/h6-7,9H,4-5H2,1-3H3/t6-,7+,8+/m1/s1
InChIKeyLKRAJTQEPAPASY-CSMHCCOUSA-N
MW144.21 g/mol
LogP1.32
Rot. Bonds3

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

(1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol (PubChem CID 131106246) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol
PubChem CID131106246
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol
SMILESCCC[C@@H]1O[C@@]1(C)[C@@H](C)O
InChIInChI=1S/C8H16O2/c1-4-5-7-8(3,10-7)6(2)9/h6-7,9H,4-5H2,1-3H3/t6-,7+,8+/m1/s1
InChIKeyLKRAJTQEPAPASY-CSMHCCOUSA-N
XLogP1.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.32
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

[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
CID 14959485
(1S)-1-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]hexan-1-ol
CID 101062225
(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol
CID 102348877
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
CID 130905910
1-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 58288064
(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 142063838
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
(1R)-1-[(4R,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-yn-1-ol
CID 53230771
[(2S,3R)-2,3-dipropyloxiran-2-yl]-trimethylsilane
CID 102094952
(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol
CID 10866612

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol (CID 131106246) is (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol is CCC[C@@H]1O[C@@]1(C)[C@@H](C)O.
What is the InChIKey of (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol?
The InChIKey is LKRAJTQEPAPASY-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-7-8(3,10-7)6(2)9/h6-7,9H,4-5H2,1-3H3/t6-,7+,8+/m1/s1.
What are the key properties of (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol?
(1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol has a molecular weight of 144.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S)-2-methyl-3-propyloxiran-2-yl]ethanol is sourced from PubChem (CID 131106246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).