(3-ethyl-3-phenylpentyl) acetate

C15H22O2 — CID 142276896

IUPAC(3-ethyl-3-phenylpentyl) acetate
SMILESCCC(CC)(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-15(5-2,11-12-17-13(3)16)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyHQKBBHDBDWVKRV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.70
Rot. Bonds6

About (3-ethyl-3-phenylpentyl) acetate

(3-ethyl-3-phenylpentyl) acetate (PubChem CID 142276896) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3-ethyl-3-phenylpentyl) acetate.

Molecular Properties

Compound Name(3-ethyl-3-phenylpentyl) acetate
PubChem CID142276896
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3-ethyl-3-phenylpentyl) acetate
SMILESCCC(CC)(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-15(5-2,11-12-17-13(3)16)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyHQKBBHDBDWVKRV-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzoic acid;butyl acetate
CID 67420594
(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
CID 66060643
2-phenylethyl acetate
CID 7654
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496
2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106456783
[2-(hydroxymethyl)-2-phenylbutyl] N-aminocarbamate
CID 131876760
acetic acid;2-phenylethyl acetate
CID 174791962
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
propyl acetate;propyl benzoate
CID 123140515
(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate
CID 141174730

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-phenylpentyl) acetate?
The IUPAC name of (3-ethyl-3-phenylpentyl) acetate (CID 142276896) is (3-ethyl-3-phenylpentyl) acetate.
What is the SMILES notation for (3-ethyl-3-phenylpentyl) acetate?
The canonical SMILES for (3-ethyl-3-phenylpentyl) acetate is CCC(CC)(CCOC(C)=O)c1ccccc1.
What is the InChIKey of (3-ethyl-3-phenylpentyl) acetate?
The InChIKey is HQKBBHDBDWVKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-15(5-2,11-12-17-13(3)16)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of (3-ethyl-3-phenylpentyl) acetate?
(3-ethyl-3-phenylpentyl) acetate has a molecular weight of 234.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-phenylpentyl) acetate is sourced from PubChem (CID 142276896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).