ethane;propan-2-yl 2-phenylpentanoate

C16H26O2 — CID 145424000

IUPACethane;propan-2-yl 2-phenylpentanoate
SMILESCC.CCCC(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C14H20O2.C2H6/c1-4-8-13(14(15)16-11(2)3)12-9-6-5-7-10-12;1-2/h5-7,9-11,13H,4,8H2,1-3H3;1-2H3
InChIKeyHUBKSDRPQXBJNN-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.55
Rot. Bonds5

About ethane;propan-2-yl 2-phenylpentanoate

ethane;propan-2-yl 2-phenylpentanoate (PubChem CID 145424000) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethane;propan-2-yl 2-phenylpentanoate.

Molecular Properties

Compound Nameethane;propan-2-yl 2-phenylpentanoate
PubChem CID145424000
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethane;propan-2-yl 2-phenylpentanoate
SMILESCC.CCCC(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C14H20O2.C2H6/c1-4-8-13(14(15)16-11(2)3)12-9-6-5-7-10-12;1-2/h5-7,9-11,13H,4,8H2,1-3H3;1-2H3
InChIKeyHUBKSDRPQXBJNN-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;propan-2-yl 2-phenylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-phenylheptanoate
CID 11075819
propan-2-yl 4-hydroxy-2-phenylbutanoate
CID 145423942
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
sulfanyl 2-phenylpentanoate
CID 174681002
ethyl 5-oxo-2-phenylhexanoate
CID 15445591
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-methylpentan-3-yl 2-phenylbutanoate
CID 91691821
benzhydryl 2-bromopentanoate
CID 19603754
methyl 2-phenylheptanoate
CID 143443478
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
CID 66664989
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 2-phenylpentanoate?
The IUPAC name of ethane;propan-2-yl 2-phenylpentanoate (CID 145424000) is ethane;propan-2-yl 2-phenylpentanoate.
What is the SMILES notation for ethane;propan-2-yl 2-phenylpentanoate?
The canonical SMILES for ethane;propan-2-yl 2-phenylpentanoate is CC.CCCC(C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of ethane;propan-2-yl 2-phenylpentanoate?
The InChIKey is HUBKSDRPQXBJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C2H6/c1-4-8-13(14(15)16-11(2)3)12-9-6-5-7-10-12;1-2/h5-7,9-11,13H,4,8H2,1-3H3;1-2H3.
What are the key properties of ethane;propan-2-yl 2-phenylpentanoate?
ethane;propan-2-yl 2-phenylpentanoate has a molecular weight of 250.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 2-phenylpentanoate is sourced from PubChem (CID 145424000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).