ethane;methane;bis(1-methylnaphthalene);propane;toluene

C38H54 — CID 160954543

IUPACethane;methane;bis(1-methylnaphthalene);propane;toluene
SMILESC.CC.CCC.CCC.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/2C11H10.C7H8.2C3H8.C2H6.CH4/c2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;2*1-3-2;1-2;/h2*2-8H,1H3;2-6H,1H3;2*3H2,1-2H3;1-2H3;1H4
InChIKeySWFBQLRQPOMGOU-UHFFFAOYSA-N
MW510.85 g/mol
LogP12.79
Rot. Bonds

About ethane;methane;bis(1-methylnaphthalene);propane;toluene

ethane;methane;bis(1-methylnaphthalene);propane;toluene (PubChem CID 160954543) has the molecular formula C38H54 and a molecular weight of 510.85 g/mol. Its IUPAC name is ethane;methane;bis(1-methylnaphthalene);propane;toluene.

Molecular Properties

Compound Nameethane;methane;bis(1-methylnaphthalene);propane;toluene
PubChem CID160954543
Molecular FormulaC38H54
Molecular Weight510.85 g/mol
Exact Mass510.42
IUPAC Nameethane;methane;bis(1-methylnaphthalene);propane;toluene
SMILESC.CC.CCC.CCC.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/2C11H10.C7H8.2C3H8.C2H6.CH4/c2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;2*1-3-2;1-2;/h2*2-8H,1H3;2-6H,1H3;2*3H2,1-2H3;1-2H3;1H4
InChIKeySWFBQLRQPOMGOU-UHFFFAOYSA-N
XLogP12.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.85
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;bis(1-methylnaphthalene);propane;toluene?
The IUPAC name of ethane;methane;bis(1-methylnaphthalene);propane;toluene (CID 160954543) is ethane;methane;bis(1-methylnaphthalene);propane;toluene.
What is the SMILES notation for ethane;methane;bis(1-methylnaphthalene);propane;toluene?
The canonical SMILES for ethane;methane;bis(1-methylnaphthalene);propane;toluene is C.CC.CCC.CCC.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.
What is the InChIKey of ethane;methane;bis(1-methylnaphthalene);propane;toluene?
The InChIKey is SWFBQLRQPOMGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.C7H8.2C3H8.C2H6.CH4/c2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;2*1-3-2;1-2;/h2*2-8H,1H3;2-6H,1H3;2*3H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;bis(1-methylnaphthalene);propane;toluene?
ethane;methane;bis(1-methylnaphthalene);propane;toluene has a molecular weight of 510.85 g/mol, XLogP of 12.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(1-methylnaphthalene);propane;toluene is sourced from PubChem (CID 160954543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).