4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene

C17H20O2 — CID 146181531

IUPAC4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene
SMILESC=COCC1=CC(C)Cc2ccc(COC=C)cc21
InChIInChI=1S/C17H20O2/c1-4-18-11-14-6-7-15-8-13(3)9-16(12-19-5-2)17(15)10-14/h4-7,9-10,13H,1-2,8,11-12H2,3H3
InChIKeyCBVNDQTWOMRHPZ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.08
Rot. Bonds6

About 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene

4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene (PubChem CID 146181531) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene
PubChem CID146181531
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene
SMILESC=COCC1=CC(C)Cc2ccc(COC=C)cc21
InChIInChI=1S/C17H20O2/c1-4-18-11-14-6-7-15-8-13(3)9-16(12-19-5-2)17(15)10-14/h4-7,9-10,13H,1-2,8,11-12H2,3H3
InChIKeyCBVNDQTWOMRHPZ-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene?
The IUPAC name of 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene (CID 146181531) is 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene is C=COCC1=CC(C)Cc2ccc(COC=C)cc21.
What is the InChIKey of 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene?
The InChIKey is CBVNDQTWOMRHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-4-18-11-14-6-7-15-8-13(3)9-16(12-19-5-2)17(15)10-14/h4-7,9-10,13H,1-2,8,11-12H2,3H3.
What are the key properties of 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene?
4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene has a molecular weight of 256.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 146181531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).