5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene

C17H20O2 — CID 118673014

IUPAC5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene
SMILESCOC(C)Oc1ccc2c3c(cccc13)C(C)C2C
InChIInChI=1S/C17H20O2/c1-10-11(2)14-8-9-16(19-12(3)18-4)15-7-5-6-13(10)17(14)15/h5-12H,1-4H3
InChIKeyKFZJCEUWILIZQZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.43
Rot. Bonds3

About 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene

5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene (PubChem CID 118673014) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene
PubChem CID118673014
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene
SMILESCOC(C)Oc1ccc2c3c(cccc13)C(C)C2C
InChIInChI=1S/C17H20O2/c1-10-11(2)14-8-9-16(19-12(3)18-4)15-7-5-6-13(10)17(14)15/h5-12H,1-4H3
InChIKeyKFZJCEUWILIZQZ-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.43
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 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene (CID 118673014) is 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene is COC(C)Oc1ccc2c3c(cccc13)C(C)C2C.
What is the InChIKey of 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene?
The InChIKey is KFZJCEUWILIZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-10-11(2)14-8-9-16(19-12(3)18-4)15-7-5-6-13(10)17(14)15/h5-12H,1-4H3.
What are the key properties of 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene?
5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene has a molecular weight of 256.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene is sourced from PubChem (CID 118673014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).