methylidenecyclohexane;toluene

C14H20 — CID 174391780

IUPACmethylidenecyclohexane;toluene
SMILESC=C1CCCCC1.Cc1ccccc1
InChIInChI=1S/C7H12.C7H8/c2*1-7-5-3-2-4-6-7/h1-6H2;2-6H,1H3
InChIKeyJJRLBVWZFGAIER-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.50
Rot. Bonds

About methylidenecyclohexane;toluene

methylidenecyclohexane;toluene (PubChem CID 174391780) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is methylidenecyclohexane;toluene.

Molecular Properties

Compound Namemethylidenecyclohexane;toluene
PubChem CID174391780
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Namemethylidenecyclohexane;toluene
SMILESC=C1CCCCC1.Cc1ccccc1
InChIInChI=1S/C7H12.C7H8/c2*1-7-5-3-2-4-6-7/h1-6H2;2-6H,1H3
InChIKeyJJRLBVWZFGAIER-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.50
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 22237200
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
methanol;methylidenecyclohexane
CID 175367336
ethene;toluene;dihydrochloride
CID 174276009
toluene;dihydrochloride
CID 66712893
bismuthane;toluene
CID 173370039
aluminum toluene
CID 21283935

Frequently Asked Questions

What is the IUPAC name of methylidenecyclohexane;toluene?
The IUPAC name of methylidenecyclohexane;toluene (CID 174391780) is methylidenecyclohexane;toluene.
What is the SMILES notation for methylidenecyclohexane;toluene?
The canonical SMILES for methylidenecyclohexane;toluene is C=C1CCCCC1.Cc1ccccc1.
What is the InChIKey of methylidenecyclohexane;toluene?
The InChIKey is JJRLBVWZFGAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C7H8/c2*1-7-5-3-2-4-6-7/h1-6H2;2-6H,1H3.
What are the key properties of methylidenecyclohexane;toluene?
methylidenecyclohexane;toluene has a molecular weight of 188.31 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidenecyclohexane;toluene is sourced from PubChem (CID 174391780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).