2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene

C17H20O2 — CID 86048106

IUPAC2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene
SMILESCOCC1(COC)c2cccc3cccc(c23)C1C
InChIInChI=1S/C17H20O2/c1-12-14-8-4-6-13-7-5-9-15(16(13)14)17(12,10-18-2)11-19-3/h4-9,12H,10-11H2,1-3H3
InChIKeyFCEHGIRDWIWDJE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds4

About 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene

2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene (PubChem CID 86048106) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene.

Molecular Properties

Compound Name2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene
PubChem CID86048106
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene
SMILESCOCC1(COC)c2cccc3cccc(c23)C1C
InChIInChI=1S/C17H20O2/c1-12-14-8-4-6-13-7-5-9-15(16(13)14)17(12,10-18-2)11-19-3/h4-9,12H,10-11H2,1-3H3
InChIKeyFCEHGIRDWIWDJE-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene?
The IUPAC name of 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene (CID 86048106) is 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene.
What is the SMILES notation for 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene?
The canonical SMILES for 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene is COCC1(COC)c2cccc3cccc(c23)C1C.
What is the InChIKey of 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene?
The InChIKey is FCEHGIRDWIWDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-14-8-4-6-13-7-5-9-15(16(13)14)17(12,10-18-2)11-19-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene?
2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene has a molecular weight of 256.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene is sourced from PubChem (CID 86048106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).