cyclohexane;formaldehyde;toluene

C14H22O — CID 143236563

IUPACcyclohexane;formaldehyde;toluene
SMILESC1CCCCC1.C=O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12.CH2O/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2/h2-6H,1H3;1-6H2;1H2
InChIKeyOXCPQCGPHUNRIY-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.15
Rot. Bonds

About cyclohexane;formaldehyde;toluene

cyclohexane;formaldehyde;toluene (PubChem CID 143236563) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is cyclohexane;formaldehyde;toluene.

Molecular Properties

Compound Namecyclohexane;formaldehyde;toluene
PubChem CID143236563
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Namecyclohexane;formaldehyde;toluene
SMILESC1CCCCC1.C=O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12.CH2O/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2/h2-6H,1H3;1-6H2;1H2
InChIKeyOXCPQCGPHUNRIY-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;formaldehyde;toluene?
The IUPAC name of cyclohexane;formaldehyde;toluene (CID 143236563) is cyclohexane;formaldehyde;toluene.
What is the SMILES notation for cyclohexane;formaldehyde;toluene?
The canonical SMILES for cyclohexane;formaldehyde;toluene is C1CCCCC1.C=O.Cc1ccccc1.
What is the InChIKey of cyclohexane;formaldehyde;toluene?
The InChIKey is OXCPQCGPHUNRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H12.CH2O/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2/h2-6H,1H3;1-6H2;1H2.
What are the key properties of cyclohexane;formaldehyde;toluene?
cyclohexane;formaldehyde;toluene has a molecular weight of 206.33 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;formaldehyde;toluene is sourced from PubChem (CID 143236563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).