[(1S)-1-cyclopentylethyl]benzene

C13H18 — CID 102346711

IUPAC[(1S)-1-cyclopentylethyl]benzene
SMILESC[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C13H18/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-/m1/s1
InChIKeyDWFSIZFYYFGOJT-LLVKDONJSA-N
MW174.29 g/mol
LogP3.98
Rot. Bonds2

About [(1S)-1-cyclopentylethyl]benzene

[(1S)-1-cyclopentylethyl]benzene (PubChem CID 102346711) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(1S)-1-cyclopentylethyl]benzene.

Molecular Properties

Compound Name[(1S)-1-cyclopentylethyl]benzene
PubChem CID102346711
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(1S)-1-cyclopentylethyl]benzene
SMILESC[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C13H18/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-/m1/s1
InChIKeyDWFSIZFYYFGOJT-LLVKDONJSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclobutylethylbenzene
CID 22024745
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
1,3-bis(1-cyclopropylethyl)benzene
CID 91412493
3-(1-phenylethyl)oxolane
CID 150323599
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
1-[4-(1-cyclopentylethyl)phenyl]ethanone
CID 115029782
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
[4-(1-cycloheptylethyl)phenyl]methanamine
CID 115038542
3-(1-cyclobutylethyl)aniline
CID 115014570

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclopentylethyl]benzene?
The IUPAC name of [(1S)-1-cyclopentylethyl]benzene (CID 102346711) is [(1S)-1-cyclopentylethyl]benzene.
What is the SMILES notation for [(1S)-1-cyclopentylethyl]benzene?
The canonical SMILES for [(1S)-1-cyclopentylethyl]benzene is C[C@H](c1ccccc1)C1CCCC1.
What is the InChIKey of [(1S)-1-cyclopentylethyl]benzene?
The InChIKey is DWFSIZFYYFGOJT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of [(1S)-1-cyclopentylethyl]benzene?
[(1S)-1-cyclopentylethyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclopentylethyl]benzene is sourced from PubChem (CID 102346711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).