methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate

C17H24O4 — CID 135016792

IUPACmethyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate
SMILESCOC(=O)CCC[C@@H](OC1CCCCO1)c1ccccc1
InChIInChI=1S/C17H24O4/c1-19-16(18)11-7-10-15(14-8-3-2-4-9-14)21-17-12-5-6-13-20-17/h2-4,8-9,15,17H,5-7,10-13H2,1H3/t15-,17?/m1/s1
InChIKeyLANSDXXYXSRUSK-LDCVWXEPSA-N
MW292.38 g/mol
LogP3.61
Rot. Bonds7

About methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate

methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate (PubChem CID 135016792) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate
PubChem CID135016792
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate
SMILESCOC(=O)CCC[C@@H](OC1CCCCO1)c1ccccc1
InChIInChI=1S/C17H24O4/c1-19-16(18)11-7-10-15(14-8-3-2-4-9-14)21-17-12-5-6-13-20-17/h2-4,8-9,15,17H,5-7,10-13H2,1H3/t15-,17?/m1/s1
InChIKeyLANSDXXYXSRUSK-LDCVWXEPSA-N
XLogP3.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2R)-2-(oxan-2-yloxy)-3-phenylpropyl]-[(1R)-1-phenylethyl]amino]acetate
CID 68826511
methyl 5,5-diphenylpentanoate
CID 10923549
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
methyl 15-[[2-(oxan-2-yloxymethyl)phenyl]methoxymethoxy]pentadecanoate
CID 11191384
methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate
CID 10640542
6-(3-bromophenyl)-2,2-dimethyl-6-(oxan-2-yloxy)hexan-1-ol
CID 171077010
methyl (5S)-5-(4-fluorophenyl)-5-(oxan-2-ylmethylamino)oxypentanoate
CID 143138851
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
S-ethyl (2S)-2-(oxan-2-yloxy)-2-phenylethanethioate
CID 135077940
methyl 8-methoxy-8-phenyloctanoate
CID 170851952

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate?
The IUPAC name of methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate (CID 135016792) is methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate.
What is the SMILES notation for methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate?
The canonical SMILES for methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate is COC(=O)CCC[C@@H](OC1CCCCO1)c1ccccc1.
What is the InChIKey of methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate?
The InChIKey is LANSDXXYXSRUSK-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-16(18)11-7-10-15(14-8-3-2-4-9-14)21-17-12-5-6-13-20-17/h2-4,8-9,15,17H,5-7,10-13H2,1H3/t15-,17?/m1/s1.
What are the key properties of methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate?
methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate is sourced from PubChem (CID 135016792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).