(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane

C12H14O — CID 11367280

IUPAC(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
SMILESC=CC[C@@]1(c2ccccc2)O[C@H]1C
InChIInChI=1S/C12H14O/c1-3-9-12(10(2)13-12)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-,12+/m0/s1
InChIKeyZTSTWOYWOYDZQC-CMPLNLGQSA-N
MW174.24 g/mol
LogP2.88
Rot. Bonds3

About (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane

(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane (PubChem CID 11367280) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
PubChem CID11367280
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
SMILESC=CC[C@@]1(c2ccccc2)O[C@H]1C
InChIInChI=1S/C12H14O/c1-3-9-12(10(2)13-12)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-,12+/m0/s1
InChIKeyZTSTWOYWOYDZQC-CMPLNLGQSA-N
XLogP2.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-phenyl-2-prop-2-enyloxane
CID 11186734
1a-prop-2-enyl-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 134862807
(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine
CID 101369766
(1S,3R)-4,4-dimethyl-1-phenyl-1,3-bis(prop-2-enyl)-3H-isochromene
CID 10781844
(2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 7431925
1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 3279873
(2S,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 7431935
(2S,3R,5S)-2,5-dimethyl-3-phenylsulfanyl-2-prop-2-enyloxolane
CID 100944567
(2R,3R)-2-ethyl-2,3-diphenyloxirane
CID 45095524
2-oxo-5-phenyl-5-prop-2-enylfuran-3-carboxylic acid
CID 53423826
2-chloro-3-methyl-2-prop-2-enyloxirane
CID 174855099
(4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane
CID 122225000

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane?
The IUPAC name of (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane (CID 11367280) is (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane.
What is the SMILES notation for (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane?
The canonical SMILES for (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane is C=CC[C@@]1(c2ccccc2)O[C@H]1C.
What is the InChIKey of (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane?
The InChIKey is ZTSTWOYWOYDZQC-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H14O/c1-3-9-12(10(2)13-12)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10-,12+/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane?
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane has a molecular weight of 174.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane is sourced from PubChem (CID 11367280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).