1-ethyl-2-[(2S)-pentan-2-yl]benzene

C13H20 — CID 144927407

IUPAC1-ethyl-2-[(2S)-pentan-2-yl]benzene
SMILESCCC[C@H](C)c1ccccc1CC
InChIInChI=1S/C13H20/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h6-7,9-11H,4-5,8H2,1-3H3/t11-/m0/s1
InChIKeyXSBHWAWXJVOWFA-NSHDSACASA-N
MW176.30 g/mol
LogP4.15
Rot. Bonds4

About 1-ethyl-2-[(2S)-pentan-2-yl]benzene

1-ethyl-2-[(2S)-pentan-2-yl]benzene (PubChem CID 144927407) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethyl-2-[(2S)-pentan-2-yl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(2S)-pentan-2-yl]benzene
PubChem CID144927407
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-ethyl-2-[(2S)-pentan-2-yl]benzene
SMILESCCC[C@H](C)c1ccccc1CC
InChIInChI=1S/C13H20/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h6-7,9-11H,4-5,8H2,1-3H3/t11-/m0/s1
InChIKeyXSBHWAWXJVOWFA-NSHDSACASA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
2-(2-ethylphenyl)-N-methylpropan-1-amine
CID 105425338
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
trichloro-[2-(2-ethylphenyl)propyl]silane
CID 69460492
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
O-(2-pentan-2-ylphenyl)hydroxylamine
CID 173492752
CID 174078311
CID 174078311
1-methyl-2-(2-pentan-2-ylphenyl)benzene
CID 156706346
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
pentan-2-ylbenzene
CID 17627

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2S)-pentan-2-yl]benzene?
The IUPAC name of 1-ethyl-2-[(2S)-pentan-2-yl]benzene (CID 144927407) is 1-ethyl-2-[(2S)-pentan-2-yl]benzene.
What is the SMILES notation for 1-ethyl-2-[(2S)-pentan-2-yl]benzene?
The canonical SMILES for 1-ethyl-2-[(2S)-pentan-2-yl]benzene is CCC[C@H](C)c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(2S)-pentan-2-yl]benzene?
The InChIKey is XSBHWAWXJVOWFA-NSHDSACASA-N. The full InChI is InChI=1S/C13H20/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h6-7,9-11H,4-5,8H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-ethyl-2-[(2S)-pentan-2-yl]benzene?
1-ethyl-2-[(2S)-pentan-2-yl]benzene has a molecular weight of 176.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2S)-pentan-2-yl]benzene is sourced from PubChem (CID 144927407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).