[(1S)-1-phenylpentyl] acetate

C13H18O2 — CID 12651064

IUPAC[(1S)-1-phenylpentyl] acetate
SMILESCCCC[C@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-4-10-13(15-11(2)14)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3/t13-/m0/s1
InChIKeyUNBGLXOZZKYZEN-ZDUSSCGKSA-N
MW206.29 g/mol
LogP3.48
Rot. Bonds5

About [(1S)-1-phenylpentyl] acetate

[(1S)-1-phenylpentyl] acetate (PubChem CID 12651064) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is [(1S)-1-phenylpentyl] acetate.

Molecular Properties

Compound Name[(1S)-1-phenylpentyl] acetate
PubChem CID12651064
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name[(1S)-1-phenylpentyl] acetate
SMILESCCCC[C@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-4-10-13(15-11(2)14)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3/t13-/m0/s1
InChIKeyUNBGLXOZZKYZEN-ZDUSSCGKSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tetrakis(1-phenylpentyl) benzene-1,2,4,5-tetracarboxylate
CID 153322747
2-[(1S)-1-acetyloxypentyl]benzoic acid
CID 71606428
bis(1-phenyloctyl) carbonate
CID 67179048
1-phenylpentyl 2-hexyloctanoate
CID 129279315
1-(2-chlorophenyl)pentyl acetate
CID 141200843
1-phenylpentyl 2-octyldecanoate
CID 129279318
1-phenylpentyl 2-decyldodecanoate
CID 129279378
1-phenylhexyl benzoate
CID 57263824
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate
CID 66559815
tetrakis(1-phenylnonyl carbonate);tin(4+)
CID 162188042

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylpentyl] acetate?
The IUPAC name of [(1S)-1-phenylpentyl] acetate (CID 12651064) is [(1S)-1-phenylpentyl] acetate.
What is the SMILES notation for [(1S)-1-phenylpentyl] acetate?
The canonical SMILES for [(1S)-1-phenylpentyl] acetate is CCCC[C@H](OC(C)=O)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylpentyl] acetate?
The InChIKey is UNBGLXOZZKYZEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-10-13(15-11(2)14)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(1S)-1-phenylpentyl] acetate?
[(1S)-1-phenylpentyl] acetate has a molecular weight of 206.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylpentyl] acetate is sourced from PubChem (CID 12651064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).