2-(butoxymethyl)-6-methylnaphthalene

C16H20O — CID 58718918

IUPAC2-(butoxymethyl)-6-methylnaphthalene
SMILESCCCCOCc1ccc2cc(C)ccc2c1
InChIInChI=1S/C16H20O/c1-3-4-9-17-12-14-6-8-15-10-13(2)5-7-16(15)11-14/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyONZUXWVVWODGBH-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.46
Rot. Bonds5

About 2-(butoxymethyl)-6-methylnaphthalene

2-(butoxymethyl)-6-methylnaphthalene (PubChem CID 58718918) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(butoxymethyl)-6-methylnaphthalene.

Molecular Properties

Compound Name2-(butoxymethyl)-6-methylnaphthalene
PubChem CID58718918
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2-(butoxymethyl)-6-methylnaphthalene
SMILESCCCCOCc1ccc2cc(C)ccc2c1
InChIInChI=1S/C16H20O/c1-3-4-9-17-12-14-6-8-15-10-13(2)5-7-16(15)11-14/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyONZUXWVVWODGBH-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(octoxymethyl)naphthalene
CID 101192870
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
2-butoxy-6-methylnaphthalene
CID 58718847
1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
CID 91406926
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene
CID 20724518
1-butoxybutane;1,2,4-trimethylbenzene
CID 90311214
2,6-dimethylnaphthalene;propane
CID 142191183
heptane;methane;2-(6-methylnaphthalen-2-yl)ethyl acetate
CID 160532911
5-(butoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293465

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-6-methylnaphthalene?
The IUPAC name of 2-(butoxymethyl)-6-methylnaphthalene (CID 58718918) is 2-(butoxymethyl)-6-methylnaphthalene.
What is the SMILES notation for 2-(butoxymethyl)-6-methylnaphthalene?
The canonical SMILES for 2-(butoxymethyl)-6-methylnaphthalene is CCCCOCc1ccc2cc(C)ccc2c1.
What is the InChIKey of 2-(butoxymethyl)-6-methylnaphthalene?
The InChIKey is ONZUXWVVWODGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-4-9-17-12-14-6-8-15-10-13(2)5-7-16(15)11-14/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of 2-(butoxymethyl)-6-methylnaphthalene?
2-(butoxymethyl)-6-methylnaphthalene has a molecular weight of 228.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-6-methylnaphthalene is sourced from PubChem (CID 58718918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).