methyl 5,5-diphenylpentanoate

C18H20O2 — CID 10923549

IUPACmethyl 5,5-diphenylpentanoate
SMILESCOC(=O)CCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3
InChIKeyQOAMFLIVOMJSGF-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.16
Rot. Bonds6

About methyl 5,5-diphenylpentanoate

methyl 5,5-diphenylpentanoate (PubChem CID 10923549) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 5,5-diphenylpentanoate.

Molecular Properties

Compound Namemethyl 5,5-diphenylpentanoate
PubChem CID10923549
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Namemethyl 5,5-diphenylpentanoate
SMILESCOC(=O)CCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3
InChIKeyQOAMFLIVOMJSGF-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
CID 66774794
CID 66774794
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 5-anilino-5-phenylpentanoate
CID 11818425
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 7-amino-7-phenylheptanoate
CID 139616773
ethyl-(5-methoxy-5-oxo-1-phenylpentyl)-propan-2-ylsulfanium
CID 140759653
dimethyl (3R)-3-[[(1S)-1-phenylethyl]amino]heptanedioate
CID 11822956
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
methyl 8-amino-7-phenyloctanoate
CID 10060632
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386

Frequently Asked Questions

What is the IUPAC name of methyl 5,5-diphenylpentanoate?
The IUPAC name of methyl 5,5-diphenylpentanoate (CID 10923549) is methyl 5,5-diphenylpentanoate.
What is the SMILES notation for methyl 5,5-diphenylpentanoate?
The canonical SMILES for methyl 5,5-diphenylpentanoate is COC(=O)CCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 5,5-diphenylpentanoate?
The InChIKey is QOAMFLIVOMJSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3.
What are the key properties of methyl 5,5-diphenylpentanoate?
methyl 5,5-diphenylpentanoate has a molecular weight of 268.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-diphenylpentanoate is sourced from PubChem (CID 10923549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).