(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol

C7H14O2 — CID 175884544

IUPAC(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol
SMILESCC[C@H](O)[C@@H](C)[C@@H]1CO1
InChIInChI=1S/C7H14O2/c1-3-6(8)5(2)7-4-9-7/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyZJQHIAYVZIQRNG-VQVTYTSYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds3

About (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol

(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol (PubChem CID 175884544) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol
PubChem CID175884544
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol
SMILESCC[C@H](O)[C@@H](C)[C@@H]1CO1
InChIInChI=1S/C7H14O2/c1-3-6(8)5(2)7-4-9-7/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyZJQHIAYVZIQRNG-VQVTYTSYSA-N
XLogP0.79
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 ≤ 50.79
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

2-(3,5-dimethylheptan-2-yl)oxirane
CID 90970634
2-butan-2-yloxirane;methane
CID 161408982
butan-2-ol;2-methyloxirane
CID 161079441
(1S)-2-methyl-1-[(2S)-oxiran-2-yl]propan-1-ol
CID 12636241
2-pentan-3-yloxirane
CID 22563957
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
(1S,2R)-1-[(2S)-(2,3-13C2)oxiran-2-yl]-2-[(2R)-(2,3-13C2)oxiran-2-yl](1,2-13C2)ethane-1,2-diol
CID 169439479
(1R)-1-[(2R)-oxiran-2-yl]-2-[(2S)-oxiran-2-yl]ethane-1,2-diol
CID 170000546
2-(1-fluoro-2-methylbutyl)oxirane
CID 139703850
2-(1-bromo-2-methylbutyl)oxirane
CID 139703846
(2R)-2-[(1R)-1-bromopropyl]oxirane
CID 86648813
(1S,2R)-3-methyl-1-[(2S)-oxiran-2-yl]butane-1,2-diol
CID 130928747

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol?
The IUPAC name of (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol (CID 175884544) is (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol.
What is the SMILES notation for (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol?
The canonical SMILES for (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol is CC[C@H](O)[C@@H](C)[C@@H]1CO1.
What is the InChIKey of (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol?
The InChIKey is ZJQHIAYVZIQRNG-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-6(8)5(2)7-4-9-7/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m1/s1.
What are the key properties of (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol?
(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol is sourced from PubChem (CID 175884544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).