methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate

C17H22O3 — CID 102186278

IUPACmethyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate
SMILESC=C1C[C@@H](CCc2ccccc2)O[C@@H](CC(=O)OC)C1
InChIInChI=1S/C17H22O3/c1-13-10-15(9-8-14-6-4-3-5-7-14)20-16(11-13)12-17(18)19-2/h3-7,15-16H,1,8-12H2,2H3/t15-,16-/m1/s1
InChIKeyQZROXRSIMCIHLQ-HZPDHXFCSA-N
MW274.36 g/mol
LogP3.29
Rot. Bonds5

About methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate

methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate (PubChem CID 102186278) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate
PubChem CID102186278
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Namemethyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate
SMILESC=C1C[C@@H](CCc2ccccc2)O[C@@H](CC(=O)OC)C1
InChIInChI=1S/C17H22O3/c1-13-10-15(9-8-14-6-4-3-5-7-14)20-16(11-13)12-17(18)19-2/h3-7,15-16H,1,8-12H2,2H3/t15-,16-/m1/s1
InChIKeyQZROXRSIMCIHLQ-HZPDHXFCSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[(4R,6R)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
CID 10541678
methyl 2-[(2S)-6-formyl-4-methylideneoxan-2-yl]acetate
CID 142548480
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate
CID 102465972
methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
CID 134940795
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
methyl 2-[(1R,3R)-3-hydroxy-2,2-dimethyl-6-methylidene-4-phenylmethoxycyclohexyl]acetate
CID 135025497
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
methyl 2-[(1S,3R)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CID 14059023
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
CID 15265293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate (CID 102186278) is methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate is C=C1C[C@@H](CCc2ccccc2)O[C@@H](CC(=O)OC)C1.
What is the InChIKey of methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate?
The InChIKey is QZROXRSIMCIHLQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H22O3/c1-13-10-15(9-8-14-6-4-3-5-7-14)20-16(11-13)12-17(18)19-2/h3-7,15-16H,1,8-12H2,2H3/t15-,16-/m1/s1.
What are the key properties of methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate?
methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate has a molecular weight of 274.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate is sourced from PubChem (CID 102186278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).