cyclohexene;methylcyclohexane;toluene

C27H40 — CID 158972627

IUPACcyclohexene;methylcyclohexane;toluene
SMILESC1=CCCCC1.CC1CCCCC1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C7H14.2C7H8.C6H10/c3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;2*2-6H,1H3;1-2H,3-6H2
InChIKeyJNZTWZORGYYINT-UHFFFAOYSA-N
MW364.62 g/mol
LogP8.69
Rot. Bonds

About cyclohexene;methylcyclohexane;toluene

cyclohexene;methylcyclohexane;toluene (PubChem CID 158972627) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is cyclohexene;methylcyclohexane;toluene.

Molecular Properties

Compound Namecyclohexene;methylcyclohexane;toluene
PubChem CID158972627
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Namecyclohexene;methylcyclohexane;toluene
SMILESC1=CCCCC1.CC1CCCCC1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C7H14.2C7H8.C6H10/c3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;2*2-6H,1H3;1-2H,3-6H2
InChIKeyJNZTWZORGYYINT-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 154291341
ethane;methylcyclohexane;4-methylphenol;toluene
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CID 142029696
(1Z)-5-methylcycloundecene
CID 22177383
1-fluoro-4-methylbenzene;methylcyclobutane;toluene
CID 145168505
5-methylcyclononene
CID 524408
methylcyclopentane;1,3-xylene
CID 142361462
(1Z)-6-methylcyclononene
CID 22177377
bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)
CID 162039295
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
benzene;cyclohexane;fluorobenzene;1-fluoro-3-methylbenzene;1-fluoro-3-methylcyclohexane;methylcyclohexane
CID 161202897

Frequently Asked Questions

What is the IUPAC name of cyclohexene;methylcyclohexane;toluene?
The IUPAC name of cyclohexene;methylcyclohexane;toluene (CID 158972627) is cyclohexene;methylcyclohexane;toluene.
What is the SMILES notation for cyclohexene;methylcyclohexane;toluene?
The canonical SMILES for cyclohexene;methylcyclohexane;toluene is C1=CCCCC1.CC1CCCCC1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of cyclohexene;methylcyclohexane;toluene?
The InChIKey is JNZTWZORGYYINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C7H8.C6H10/c3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;2*2-6H,1H3;1-2H,3-6H2.
What are the key properties of cyclohexene;methylcyclohexane;toluene?
cyclohexene;methylcyclohexane;toluene has a molecular weight of 364.62 g/mol, XLogP of 8.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;methylcyclohexane;toluene is sourced from PubChem (CID 158972627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).