(2R,3R)-2-methyl-2-phenyl-3-propyloxirane

C12H16O — CID 15441965

IUPAC(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
SMILESCCC[C@H]1O[C@]1(C)c1ccccc1
InChIInChI=1S/C12H16O/c1-3-7-11-12(2,13-11)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyUOYPVSMNMMXMFN-VXGBXAGGSA-N
MW176.26 g/mol
LogP3.10
Rot. Bonds3

About (2R,3R)-2-methyl-2-phenyl-3-propyloxirane

(2R,3R)-2-methyl-2-phenyl-3-propyloxirane (PubChem CID 15441965) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2R,3R)-2-methyl-2-phenyl-3-propyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
PubChem CID15441965
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
SMILESCCC[C@H]1O[C@]1(C)c1ccccc1
InChIInChI=1S/C12H16O/c1-3-7-11-12(2,13-11)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyUOYPVSMNMMXMFN-VXGBXAGGSA-N
XLogP3.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.10
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

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
alpha-Methylbenzyl formate
CID 346286
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
1-Phenylpropyl butyrate
CID 61447

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-2-phenyl-3-propyloxirane?
The IUPAC name of (2R,3R)-2-methyl-2-phenyl-3-propyloxirane (CID 15441965) is (2R,3R)-2-methyl-2-phenyl-3-propyloxirane.
What is the SMILES notation for (2R,3R)-2-methyl-2-phenyl-3-propyloxirane?
The canonical SMILES for (2R,3R)-2-methyl-2-phenyl-3-propyloxirane is CCC[C@H]1O[C@]1(C)c1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-2-phenyl-3-propyloxirane?
The InChIKey is UOYPVSMNMMXMFN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O/c1-3-7-11-12(2,13-11)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-2-phenyl-3-propyloxirane?
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane has a molecular weight of 176.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-2-phenyl-3-propyloxirane is sourced from PubChem (CID 15441965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).