1-(2-ethylhexyl)-2-methylbenzene

C15H24 — CID 54294773

IUPAC1-(2-ethylhexyl)-2-methylbenzene
SMILESCCCCC(CC)Cc1ccccc1C
InChIInChI=1S/C15H24/c1-4-6-10-14(5-2)12-15-11-8-7-9-13(15)3/h7-9,11,14H,4-6,10,12H2,1-3H3
InChIKeyCDCCAIKGXWCXEW-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.75
Rot. Bonds6

About 1-(2-ethylhexyl)-2-methylbenzene

1-(2-ethylhexyl)-2-methylbenzene (PubChem CID 54294773) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-methylbenzene
PubChem CID54294773
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-(2-ethylhexyl)-2-methylbenzene
SMILESCCCCC(CC)Cc1ccccc1C
InChIInChI=1S/C15H24/c1-4-6-10-14(5-2)12-15-11-8-7-9-13(15)3/h7-9,11,14H,4-6,10,12H2,1-3H3
InChIKeyCDCCAIKGXWCXEW-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
3-ethyl-N-[(2-methylphenyl)methyl]heptan-1-amine
CID 142055976
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
2-[2-(2-ethylhexyl)phenyl]oxirane
CID 174317982
1-(2-chlorotridecyl)-2-methylbenzene
CID 65426616
1-cyclohexyl-2-(2-ethylhexyl)benzene
CID 154130996
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
4-ethyl-1-(2-methylphenyl)hexan-2-ol
CID 82919839
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 113474720
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2-methylbenzene?
The IUPAC name of 1-(2-ethylhexyl)-2-methylbenzene (CID 54294773) is 1-(2-ethylhexyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-ethylhexyl)-2-methylbenzene?
The canonical SMILES for 1-(2-ethylhexyl)-2-methylbenzene is CCCCC(CC)Cc1ccccc1C.
What is the InChIKey of 1-(2-ethylhexyl)-2-methylbenzene?
The InChIKey is CDCCAIKGXWCXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-4-6-10-14(5-2)12-15-11-8-7-9-13(15)3/h7-9,11,14H,4-6,10,12H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-2-methylbenzene?
1-(2-ethylhexyl)-2-methylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2-methylbenzene is sourced from PubChem (CID 54294773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).