(2-methyl-1-phenylpropan-2-yl) butanoate

C14H20O2 — CID 24915

IUPAC(2-methyl-1-phenylpropan-2-yl) butanoate
SMILESCCCC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeySHSGYHAHMQLYRB-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.35
Rot. Bonds5

About (2-methyl-1-phenylpropan-2-yl) butanoate

(2-methyl-1-phenylpropan-2-yl) butanoate (PubChem CID 24915) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl) butanoate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropan-2-yl) butanoate
PubChem CID24915
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2-methyl-1-phenylpropan-2-yl) butanoate
SMILESCCCC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeySHSGYHAHMQLYRB-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropan-2-yl) butanoate?
The IUPAC name of (2-methyl-1-phenylpropan-2-yl) butanoate (CID 24915) is (2-methyl-1-phenylpropan-2-yl) butanoate.
What is the SMILES notation for (2-methyl-1-phenylpropan-2-yl) butanoate?
The canonical SMILES for (2-methyl-1-phenylpropan-2-yl) butanoate is CCCC(=O)OC(C)(C)Cc1ccccc1.
What is the InChIKey of (2-methyl-1-phenylpropan-2-yl) butanoate?
The InChIKey is SHSGYHAHMQLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3.
What are the key properties of (2-methyl-1-phenylpropan-2-yl) butanoate?
(2-methyl-1-phenylpropan-2-yl) butanoate has a molecular weight of 220.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylpropan-2-yl) butanoate is sourced from PubChem (CID 24915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).