2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one

C17H18O3 — CID 86048023

IUPAC2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one
SMILESCOCC1(COC)C(=O)c2cccc3c(C)ccc1c23
InChIInChI=1S/C17H18O3/c1-11-7-8-14-15-12(11)5-4-6-13(15)16(18)17(14,9-19-2)10-20-3/h4-8H,9-10H2,1-3H3
InChIKeyVYXGPONBABEKCR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds4

About 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one

2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one (PubChem CID 86048023) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one.

Molecular Properties

Compound Name2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one
PubChem CID86048023
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one
SMILESCOCC1(COC)C(=O)c2cccc3c(C)ccc1c23
InChIInChI=1S/C17H18O3/c1-11-7-8-14-15-12(11)5-4-6-13(15)16(18)17(14,9-19-2)10-20-3/h4-8H,9-10H2,1-3H3
InChIKeyVYXGPONBABEKCR-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one?
The IUPAC name of 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one (CID 86048023) is 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one.
What is the SMILES notation for 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one?
The canonical SMILES for 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one is COCC1(COC)C(=O)c2cccc3c(C)ccc1c23.
What is the InChIKey of 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one?
The InChIKey is VYXGPONBABEKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-7-8-14-15-12(11)5-4-6-13(15)16(18)17(14,9-19-2)10-20-3/h4-8H,9-10H2,1-3H3.
What are the key properties of 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one?
2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methoxymethyl)-5-methylacenaphthylen-1-one is sourced from PubChem (CID 86048023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).