(2R)-2-propan-2-yloxirane

C5H10O — CID 7017987

IUPAC(2R)-2-propan-2-yloxirane
SMILESCC(C)[C@@H]1CO1
InChIInChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyREYZXWIIUPKFTI-YFKPBYRVSA-N
MW86.13 g/mol
LogP1.04
Rot. Bonds1

About (2R)-2-propan-2-yloxirane

(2R)-2-propan-2-yloxirane (PubChem CID 7017987) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (2R)-2-propan-2-yloxirane.

Molecular Properties

Compound Name(2R)-2-propan-2-yloxirane
PubChem CID7017987
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(2R)-2-propan-2-yloxirane
SMILESCC(C)[C@@H]1CO1
InChIInChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyREYZXWIIUPKFTI-YFKPBYRVSA-N
XLogP1.04
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-Epoxybutane
CID 7834
2-tert-Butyloxirane
CID 92174
2-Ethyl-2-methyloxirane
CID 121763
Isobutyloxirane
CID 90990
1,2-Epoxy-3-methylbutane
CID 102618
2-Isopropyl-2-methyloxirane
CID 522448
(2R)-2-Ethyloxirane
CID 11147670
(2S)-2-Ethyloxirane
CID 10898629
(2S)-2-(1,1-Dimethylethyl)oxirane
CID 7005022
Butane, 2-methoxy-3-methyl-
CID 547676
(2R)-2-Tert-butyloxirane
CID 6992710
Oxirane, 2-methyl-3-(1-methylethyl)-
CID 527855

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yloxirane?
The IUPAC name of (2R)-2-propan-2-yloxirane (CID 7017987) is (2R)-2-propan-2-yloxirane.
What is the SMILES notation for (2R)-2-propan-2-yloxirane?
The canonical SMILES for (2R)-2-propan-2-yloxirane is CC(C)[C@@H]1CO1.
What is the InChIKey of (2R)-2-propan-2-yloxirane?
The InChIKey is REYZXWIIUPKFTI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2R)-2-propan-2-yloxirane?
(2R)-2-propan-2-yloxirane has a molecular weight of 86.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yloxirane is sourced from PubChem (CID 7017987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).