4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene

C17H26O — CID 67779358

IUPAC4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene
SMILESCOC1=CCC=C2C1=CC(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C17H26O/c1-15(2)11-12-13(9-8-10-14(12)18-7)16(3,4)17(15,5)6/h9-11H,8H2,1-7H3
InChIKeyWGZZQXSYXAHVFA-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.87
Rot. Bonds1

About 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene

4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene (PubChem CID 67779358) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene.

Molecular Properties

Compound Name4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene
PubChem CID67779358
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene
SMILESCOC1=CCC=C2C1=CC(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C17H26O/c1-15(2)11-12-13(9-8-10-14(12)18-7)16(3,4)17(15,5)6/h9-11H,8H2,1-7H3
InChIKeyWGZZQXSYXAHVFA-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene?
The IUPAC name of 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene (CID 67779358) is 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene.
What is the SMILES notation for 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene?
The canonical SMILES for 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene is COC1=CCC=C2C1=CC(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene?
The InChIKey is WGZZQXSYXAHVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-15(2)11-12-13(9-8-10-14(12)18-7)16(3,4)17(15,5)6/h9-11H,8H2,1-7H3.
What are the key properties of 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene?
4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene has a molecular weight of 246.39 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,6,7,7,8,8-hexamethyl-2H-naphthalene is sourced from PubChem (CID 67779358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).