ethane;1-methylnaphthalene;toluene

C27H32 — CID 91013579

IUPACethane;1-methylnaphthalene;toluene
SMILESCC.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C11H10.2C7H8.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-7-5-3-2-4-6-7;1-2/h2-8H,1H3;2*2-6H,1H3;1-2H3
InChIKeyYBOYMABAEJMXKO-UHFFFAOYSA-N
MW356.55 g/mol
LogP8.16
Rot. Bonds

About ethane;1-methylnaphthalene;toluene

ethane;1-methylnaphthalene;toluene (PubChem CID 91013579) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is ethane;1-methylnaphthalene;toluene.

Molecular Properties

Compound Nameethane;1-methylnaphthalene;toluene
PubChem CID91013579
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Nameethane;1-methylnaphthalene;toluene
SMILESCC.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C11H10.2C7H8.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-7-5-3-2-4-6-7;1-2/h2-8H,1H3;2*2-6H,1H3;1-2H3
InChIKeyYBOYMABAEJMXKO-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylnaphthalene;toluene?
The IUPAC name of ethane;1-methylnaphthalene;toluene (CID 91013579) is ethane;1-methylnaphthalene;toluene.
What is the SMILES notation for ethane;1-methylnaphthalene;toluene?
The canonical SMILES for ethane;1-methylnaphthalene;toluene is CC.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of ethane;1-methylnaphthalene;toluene?
The InChIKey is YBOYMABAEJMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.2C7H8.C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-7-5-3-2-4-6-7;1-2/h2-8H,1H3;2*2-6H,1H3;1-2H3.
What are the key properties of ethane;1-methylnaphthalene;toluene?
ethane;1-methylnaphthalene;toluene has a molecular weight of 356.55 g/mol, XLogP of 8.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylnaphthalene;toluene is sourced from PubChem (CID 91013579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).