ethane;methylcyclohexane;4-methylphenol;toluene

C27H48O — CID 142029697

IUPACethane;methylcyclohexane;4-methylphenol;toluene
SMILESCC.CC.CC.CC1CCCCC1.Cc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C7H8O.C7H14.C7H8.3C2H6/c1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;3*1-2/h2-5,8H,1H3;7H,2-6H2,1H3;2-6H,1H3;3*1-2H3
InChIKeyRDZGILZVYGPPTJ-UHFFFAOYSA-N
MW388.68 g/mol
LogP9.36
Rot. Bonds

About ethane;methylcyclohexane;4-methylphenol;toluene

ethane;methylcyclohexane;4-methylphenol;toluene (PubChem CID 142029697) has the molecular formula C27H48O and a molecular weight of 388.68 g/mol. Its IUPAC name is ethane;methylcyclohexane;4-methylphenol;toluene.

Molecular Properties

Compound Nameethane;methylcyclohexane;4-methylphenol;toluene
PubChem CID142029697
Molecular FormulaC27H48O
Molecular Weight388.68 g/mol
Exact Mass388.37
IUPAC Nameethane;methylcyclohexane;4-methylphenol;toluene
SMILESCC.CC.CC.CC1CCCCC1.Cc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C7H8O.C7H14.C7H8.3C2H6/c1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;3*1-2/h2-5,8H,1H3;7H,2-6H2,1H3;2-6H,1H3;3*1-2H3
InChIKeyRDZGILZVYGPPTJ-UHFFFAOYSA-N
XLogP9.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methylcyclohexane;4-methylphenol;toluene
CID 142029696
cyclohexene;methylcyclohexane;toluene
CID 158972627
bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)
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 142029697) 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.CC.CC1CCCCC1.Cc1ccc(O)cc1.Cc1ccccc1.
What is the InChIKey of ethane;methylcyclohexane;4-methylphenol;toluene?
The InChIKey is RDZGILZVYGPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H14.C7H8.3C2H6/c1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;3*1-2/h2-5,8H,1H3;7H,2-6H2,1H3;2-6H,1H3;3*1-2H3.
What are the key properties of ethane;methylcyclohexane;4-methylphenol;toluene?
ethane;methylcyclohexane;4-methylphenol;toluene has a molecular weight of 388.68 g/mol, XLogP of 9.36, 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 142029697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).