(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol

C8H16O2 — CID 134945501

IUPAC(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol
SMILESCC1O[C@]1(C)CC[C@H](C)O
InChIInChI=1S/C8H16O2/c1-6(9)4-5-8(3)7(2)10-8/h6-7,9H,4-5H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyYEAGKBPXLVGCPK-YPVSKDHRSA-N
MW144.21 g/mol
LogP1.32
Rot. Bonds3

About (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol

(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol (PubChem CID 134945501) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol
PubChem CID134945501
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol
SMILESCC1O[C@]1(C)CC[C@H](C)O
InChIInChI=1S/C8H16O2/c1-6(9)4-5-8(3)7(2)10-8/h6-7,9H,4-5H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyYEAGKBPXLVGCPK-YPVSKDHRSA-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

4-(3,3-Dimethyloxiran-2-yl)butan-2-ol
CID 14938156
4-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]butan-1-ol
CID 10899167
(2R)-1-[(2R,3R)-3-(hydroxymethyl)oxiran-2-yl]-2-methylpentan-2-ol
CID 16220343
cis-5,6-Epoxy-5-methoxymethyl-heptan-1-ol
CID 85307901
4-(3,3-Dimethyloxiran-2-yl)-2-methylbutan-2-ol
CID 101856100
2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol
CID 134930685
2-[2-(3,3-Dimethyloxiran-2-yl)ethyl]butane-1,4-diol
CID 135084125
1-(3,3-Dimethyloxiran-2-yl)-4-methylpentan-3-ol
CID 170849139
2-(3-Methoxybutyl)-2,3-dimethyloxirane
CID 13215879
(3S)-1-(3,3-dimethyloxiran-2-yl)-3-methylpentan-3-ol
CID 14938157
3-(Oxiran-2-ylmethyl)pentan-3-ol
CID 12835182
4-(3,3-Dimethyloxiran-2-yl)butan-1-ol
CID 14783829

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol?
The IUPAC name of (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol (CID 134945501) is (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol.
What is the SMILES notation for (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol?
The canonical SMILES for (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol is CC1O[C@]1(C)CC[C@H](C)O.
What is the InChIKey of (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol?
The InChIKey is YEAGKBPXLVGCPK-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(9)4-5-8(3)7(2)10-8/h6-7,9H,4-5H2,1-3H3/t6-,7?,8+/m0/s1.
What are the key properties of (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol?
(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol 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 (2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol is sourced from PubChem (CID 134945501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).