2-methyloxolane;toluene

C12H18O — CID 66810937

IUPAC2-methyloxolane;toluene
SMILESCC1CCCO1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H10O/c1-7-5-3-2-4-6-7;1-5-3-2-4-6-5/h2-6H,1H3;5H,2-4H2,1H3
InChIKeyFNAYLSDQHZLYQB-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.18
Rot. Bonds

About 2-methyloxolane;toluene

2-methyloxolane;toluene (PubChem CID 66810937) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyloxolane;toluene.

Molecular Properties

Compound Name2-methyloxolane;toluene
PubChem CID66810937
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2-methyloxolane;toluene
SMILESCC1CCCO1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H10O/c1-7-5-3-2-4-6-7;1-5-3-2-4-6-5/h2-6H,1H3;5H,2-4H2,1H3
InChIKeyFNAYLSDQHZLYQB-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane;toluene?
The IUPAC name of 2-methyloxolane;toluene (CID 66810937) is 2-methyloxolane;toluene.
What is the SMILES notation for 2-methyloxolane;toluene?
The canonical SMILES for 2-methyloxolane;toluene is CC1CCCO1.Cc1ccccc1.
What is the InChIKey of 2-methyloxolane;toluene?
The InChIKey is FNAYLSDQHZLYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H10O/c1-7-5-3-2-4-6-7;1-5-3-2-4-6-5/h2-6H,1H3;5H,2-4H2,1H3.
What are the key properties of 2-methyloxolane;toluene?
2-methyloxolane;toluene has a molecular weight of 178.28 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane;toluene is sourced from PubChem (CID 66810937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).