4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene

C14H22 — CID 144520525

IUPAC4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene
SMILESCCC[C@@H](C)c1cc(CC)ccc1C
InChIInChI=1S/C14H22/c1-5-7-11(3)14-10-13(6-2)9-8-12(14)4/h8-11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyWOMXECMSGBHUIL-LLVKDONJSA-N
MW190.33 g/mol
LogP4.46
Rot. Bonds4

About 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene

4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene (PubChem CID 144520525) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene
PubChem CID144520525
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene
SMILESCCC[C@@H](C)c1cc(CC)ccc1C
InChIInChI=1S/C14H22/c1-5-7-11(3)14-10-13(6-2)9-8-12(14)4/h8-11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyWOMXECMSGBHUIL-LLVKDONJSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
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4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
3-methyl-4-pentan-2-ylpyridine
CID 143325066
1-methyl-2-(2-pentan-2-ylphenyl)benzene
CID 156706346
2-methyl-5-pentan-2-ylphenol
CID 130033342
2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene
CID 67682143
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene?
The IUPAC name of 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene (CID 144520525) is 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene.
What is the SMILES notation for 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene?
The canonical SMILES for 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene is CCC[C@@H](C)c1cc(CC)ccc1C.
What is the InChIKey of 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene?
The InChIKey is WOMXECMSGBHUIL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22/c1-5-7-11(3)14-10-13(6-2)9-8-12(14)4/h8-11H,5-7H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene?
4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene has a molecular weight of 190.33 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene is sourced from PubChem (CID 144520525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).