2-methylnaphthalene;2,2,5-trimethylhexane

C20H30 — CID 145192936

IUPAC2-methylnaphthalene;2,2,5-trimethylhexane
SMILESCC(C)CCC(C)(C)C.Cc1ccc2ccccc2c1
InChIInChI=1S/C11H10.C9H20/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8(2)6-7-9(3,4)5/h2-8H,1H3;8H,6-7H2,1-5H3
InChIKeyCIVITCRXEDOXDL-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.62
Rot. Bonds2

About 2-methylnaphthalene;2,2,5-trimethylhexane

2-methylnaphthalene;2,2,5-trimethylhexane (PubChem CID 145192936) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-methylnaphthalene;2,2,5-trimethylhexane.

Molecular Properties

Compound Name2-methylnaphthalene;2,2,5-trimethylhexane
PubChem CID145192936
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name2-methylnaphthalene;2,2,5-trimethylhexane
SMILESCC(C)CCC(C)(C)C.Cc1ccc2ccccc2c1
InChIInChI=1S/C11H10.C9H20/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8(2)6-7-9(3,4)5/h2-8H,1H3;8H,6-7H2,1-5H3
InChIKeyCIVITCRXEDOXDL-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene;2,2,5-trimethylhexane?
The IUPAC name of 2-methylnaphthalene;2,2,5-trimethylhexane (CID 145192936) is 2-methylnaphthalene;2,2,5-trimethylhexane.
What is the SMILES notation for 2-methylnaphthalene;2,2,5-trimethylhexane?
The canonical SMILES for 2-methylnaphthalene;2,2,5-trimethylhexane is CC(C)CCC(C)(C)C.Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methylnaphthalene;2,2,5-trimethylhexane?
The InChIKey is CIVITCRXEDOXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C9H20/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8(2)6-7-9(3,4)5/h2-8H,1H3;8H,6-7H2,1-5H3.
What are the key properties of 2-methylnaphthalene;2,2,5-trimethylhexane?
2-methylnaphthalene;2,2,5-trimethylhexane has a molecular weight of 270.46 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene;2,2,5-trimethylhexane is sourced from PubChem (CID 145192936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).