ethene;propan-1-ol;toluene

C12H20O — CID 20565327

IUPACethene;propan-1-ol;toluene
SMILESC=C.CCCO.Cc1ccccc1
InChIInChI=1S/C7H8.C3H8O.C2H4/c1-7-5-3-2-4-6-7;1-2-3-4;1-2/h2-6H,1H3;4H,2-3H2,1H3;1-2H2
InChIKeyOPACLIRRPIRJQS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.19
Rot. Bonds1

About ethene;propan-1-ol;toluene

ethene;propan-1-ol;toluene (PubChem CID 20565327) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethene;propan-1-ol;toluene.

Molecular Properties

Compound Nameethene;propan-1-ol;toluene
PubChem CID20565327
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethene;propan-1-ol;toluene
SMILESC=C.CCCO.Cc1ccccc1
InChIInChI=1S/C7H8.C3H8O.C2H4/c1-7-5-3-2-4-6-7;1-2-3-4;1-2/h2-6H,1H3;4H,2-3H2,1H3;1-2H2
InChIKeyOPACLIRRPIRJQS-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;propan-1-ol;toluene?
The IUPAC name of ethene;propan-1-ol;toluene (CID 20565327) is ethene;propan-1-ol;toluene.
What is the SMILES notation for ethene;propan-1-ol;toluene?
The canonical SMILES for ethene;propan-1-ol;toluene is C=C.CCCO.Cc1ccccc1.
What is the InChIKey of ethene;propan-1-ol;toluene?
The InChIKey is OPACLIRRPIRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H8O.C2H4/c1-7-5-3-2-4-6-7;1-2-3-4;1-2/h2-6H,1H3;4H,2-3H2,1H3;1-2H2.
What are the key properties of ethene;propan-1-ol;toluene?
ethene;propan-1-ol;toluene has a molecular weight of 180.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;propan-1-ol;toluene is sourced from PubChem (CID 20565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).