ethane;(2S)-2-(phenoxymethyl)oxirane

C11H16O2 — CID 164913694

IUPACethane;(2S)-2-(phenoxymethyl)oxirane
SMILESCC.c1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C9H10O2.C2H6/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h1-5,9H,6-7H2;1-2H3/t9-;/m1./s1
InChIKeyRDPXGZYQVIMDGG-SBSPUUFOSA-N
MW180.25 g/mol
LogP2.49
Rot. Bonds3

About ethane;(2S)-2-(phenoxymethyl)oxirane

ethane;(2S)-2-(phenoxymethyl)oxirane (PubChem CID 164913694) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;(2S)-2-(phenoxymethyl)oxirane.

Molecular Properties

Compound Nameethane;(2S)-2-(phenoxymethyl)oxirane
PubChem CID164913694
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameethane;(2S)-2-(phenoxymethyl)oxirane
SMILESCC.c1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C9H10O2.C2H6/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h1-5,9H,6-7H2;1-2H3/t9-;/m1./s1
InChIKeyRDPXGZYQVIMDGG-SBSPUUFOSA-N
XLogP2.49
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
ethene;2-(phenoxymethyl)oxirane
CID 135283522
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
anisole;bis(1,4-diethylbenzene);ethane;2-(phenoxymethyl)oxirane
CID 157404287
1,3-ditert-butylbenzene;ethane;methane;bis(2-(phenoxymethyl)oxirane)
CID 160560023
cumene;ethane;bis(2-(methoxymethyl)oxirane);tris(2-(phenoxymethyl)oxirane)
CID 158628224
7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane
CID 158637466
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(2-(phenoxymethyl)oxirane)
CID 161223554

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-(phenoxymethyl)oxirane?
The IUPAC name of ethane;(2S)-2-(phenoxymethyl)oxirane (CID 164913694) is ethane;(2S)-2-(phenoxymethyl)oxirane.
What is the SMILES notation for ethane;(2S)-2-(phenoxymethyl)oxirane?
The canonical SMILES for ethane;(2S)-2-(phenoxymethyl)oxirane is CC.c1ccc(OC[C@@H]2CO2)cc1.
What is the InChIKey of ethane;(2S)-2-(phenoxymethyl)oxirane?
The InChIKey is RDPXGZYQVIMDGG-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H10O2.C2H6/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h1-5,9H,6-7H2;1-2H3/t9-;/m1./s1.
What are the key properties of ethane;(2S)-2-(phenoxymethyl)oxirane?
ethane;(2S)-2-(phenoxymethyl)oxirane has a molecular weight of 180.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-(phenoxymethyl)oxirane is sourced from PubChem (CID 164913694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).