ethane;methylcyclohexane;4-methylphenol;toluene

C25H42O — CID 142029696

IUPACethane;methylcyclohexane;4-methylphenol;toluene
SMILESCC.CC.CC1CCCCC1.Cc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C7H8O.C7H14.C7H8.2C2H6/c1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;2*1-2/h2-5,8H,1H3;7H,2-6H2,1H3;2-6H,1H3;2*1-2H3
InChIKeyNXYWJYAIIBUXIT-UHFFFAOYSA-N
MW358.61 g/mol
LogP8.33
Rot. Bonds

About ethane;methylcyclohexane;4-methylphenol;toluene

ethane;methylcyclohexane;4-methylphenol;toluene (PubChem CID 142029696) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is ethane;methylcyclohexane;4-methylphenol;toluene.

Molecular Properties

Compound Nameethane;methylcyclohexane;4-methylphenol;toluene
PubChem CID142029696
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Nameethane;methylcyclohexane;4-methylphenol;toluene
SMILESCC.CC.CC1CCCCC1.Cc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C7H8O.C7H14.C7H8.2C2H6/c1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;2*1-2/h2-5,8H,1H3;7H,2-6H2,1H3;2-6H,1H3;2*1-2H3
InChIKeyNXYWJYAIIBUXIT-UHFFFAOYSA-N
XLogP8.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methylcyclohexane;4-methylphenol;toluene
CID 142029697
cyclohexene;methylcyclohexane;toluene
CID 158972627
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CID 162039295
1-fluoro-4-methylbenzene;methylcyclobutane;toluene
CID 145168505
methylcyclopentane;1,3-xylene
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1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
phenol;toluene;dihydrochloride
CID 174548899
phenol;toluene;hydrate
CID 130237707
ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene
CID 158414729
4-methylphenol
CID 70549076
tetrakis(dibenzofuran);tetrakis(dibenzothiophene);ethane;methylcyclohexane;toluene
CID 160620616
1,3-dimethylcyclohexane;methylcyclobutane;methylcyclohexane;methylcyclopentane;1,2,3,5-tetramethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161051504

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;4-methylphenol;toluene?
The IUPAC name of ethane;methylcyclohexane;4-methylphenol;toluene (CID 142029696) is ethane;methylcyclohexane;4-methylphenol;toluene.
What is the SMILES notation for ethane;methylcyclohexane;4-methylphenol;toluene?
The canonical SMILES for ethane;methylcyclohexane;4-methylphenol;toluene is CC.CC.CC1CCCCC1.Cc1ccc(O)cc1.Cc1ccccc1.
What is the InChIKey of ethane;methylcyclohexane;4-methylphenol;toluene?
The InChIKey is NXYWJYAIIBUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H14.C7H8.2C2H6/c1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;2*1-2/h2-5,8H,1H3;7H,2-6H2,1H3;2-6H,1H3;2*1-2H3.
What are the key properties of ethane;methylcyclohexane;4-methylphenol;toluene?
ethane;methylcyclohexane;4-methylphenol;toluene has a molecular weight of 358.61 g/mol, XLogP of 8.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;4-methylphenol;toluene is sourced from PubChem (CID 142029696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).