(2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane

C19H28O2 — CID 101364458

IUPAC(2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane
SMILESCC[C@]1(COCc2ccccc2)O[C@]1(C)C1CCCCC1
InChIInChI=1S/C19H28O2/c1-3-19(15-20-14-16-10-6-4-7-11-16)18(2,21-19)17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyPOTPEBWCPUDRBB-RTBURBONSA-N
MW288.43 g/mol
LogP4.72
Rot. Bonds6

About (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane

(2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane (PubChem CID 101364458) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane
PubChem CID101364458
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane
SMILESCC[C@]1(COCc2ccccc2)O[C@]1(C)C1CCCCC1
InChIInChI=1S/C19H28O2/c1-3-19(15-20-14-16-10-6-4-7-11-16)18(2,21-19)17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyPOTPEBWCPUDRBB-RTBURBONSA-N
XLogP4.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.72
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

2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
(3aS,4S,6aS)-2,2-dimethyl-3a-(phenylmethoxymethyl)-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-amine
CID 57053674
(2R,5S)-2-ethyl-5-phenyl-2-(phenylmethoxymethyl)oxolane
CID 7832534
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
6-ethyl-6-(phenylmethoxymethyl)oxasilinane
CID 175144224
[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
CID 164670270
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane
CID 178086596
(2R,4R)-2-methyl-2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 11970175
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane?
The IUPAC name of (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane (CID 101364458) is (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane?
The canonical SMILES for (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane is CC[C@]1(COCc2ccccc2)O[C@]1(C)C1CCCCC1.
What is the InChIKey of (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane?
The InChIKey is POTPEBWCPUDRBB-RTBURBONSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-19(15-20-14-16-10-6-4-7-11-16)18(2,21-19)17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane?
(2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane has a molecular weight of 288.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 101364458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).