1,1,2-trimethyl-2H-naphthalene

C13H16 — CID 71407484

IUPAC1,1,2-trimethyl-2H-naphthalene
SMILESCC1C=Cc2ccccc2C1(C)C
InChIInChI=1S/C13H16/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-10H,1-3H3
InChIKeyLNTKBBRCAIFQLG-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.63
Rot. Bonds

About 1,1,2-trimethyl-2H-naphthalene

1,1,2-trimethyl-2H-naphthalene (PubChem CID 71407484) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1,2-trimethyl-2H-naphthalene.

Molecular Properties

Compound Name1,1,2-trimethyl-2H-naphthalene
PubChem CID71407484
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1,1,2-trimethyl-2H-naphthalene
SMILESCC1C=Cc2ccccc2C1(C)C
InChIInChI=1S/C13H16/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-10H,1-3H3
InChIKeyLNTKBBRCAIFQLG-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-2H-naphthalene?
The IUPAC name of 1,1,2-trimethyl-2H-naphthalene (CID 71407484) is 1,1,2-trimethyl-2H-naphthalene.
What is the SMILES notation for 1,1,2-trimethyl-2H-naphthalene?
The canonical SMILES for 1,1,2-trimethyl-2H-naphthalene is CC1C=Cc2ccccc2C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-2H-naphthalene?
The InChIKey is LNTKBBRCAIFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-10H,1-3H3.
What are the key properties of 1,1,2-trimethyl-2H-naphthalene?
1,1,2-trimethyl-2H-naphthalene has a molecular weight of 172.27 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-2H-naphthalene is sourced from PubChem (CID 71407484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).