2-(dimethoxymethyl)naphthalene

C13H14O2 — CID 11447004

IUPAC2-(dimethoxymethyl)naphthalene
SMILESCOC(OC)c1ccc2ccccc2c1
InChIInChI=1S/C13H14O2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3
InChIKeyDUWXVMIEMVFNGD-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.13
Rot. Bonds3

About 2-(dimethoxymethyl)naphthalene

2-(dimethoxymethyl)naphthalene (PubChem CID 11447004) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(dimethoxymethyl)naphthalene.

Molecular Properties

Compound Name2-(dimethoxymethyl)naphthalene
PubChem CID11447004
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(dimethoxymethyl)naphthalene
SMILESCOC(OC)c1ccc2ccccc2c1
InChIInChI=1S/C13H14O2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3
InChIKeyDUWXVMIEMVFNGD-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)naphthalene?
The IUPAC name of 2-(dimethoxymethyl)naphthalene (CID 11447004) is 2-(dimethoxymethyl)naphthalene.
What is the SMILES notation for 2-(dimethoxymethyl)naphthalene?
The canonical SMILES for 2-(dimethoxymethyl)naphthalene is COC(OC)c1ccc2ccccc2c1.
What is the InChIKey of 2-(dimethoxymethyl)naphthalene?
The InChIKey is DUWXVMIEMVFNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3.
What are the key properties of 2-(dimethoxymethyl)naphthalene?
2-(dimethoxymethyl)naphthalene has a molecular weight of 202.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)naphthalene is sourced from PubChem (CID 11447004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).