9-(6-methylnaphthalen-2-yl)nonyl acetate

C22H30O2 — CID 171920221

IUPAC9-(6-methylnaphthalen-2-yl)nonyl acetate
SMILESCC(=O)OCCCCCCCCCc1ccc2cc(C)ccc2c1
InChIInChI=1S/C22H30O2/c1-18-11-13-22-17-20(12-14-21(22)16-18)10-8-6-4-3-5-7-9-15-24-19(2)23/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyUMJALNDKMNIWAM-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.98
Rot. Bonds10

About 9-(6-methylnaphthalen-2-yl)nonyl acetate

9-(6-methylnaphthalen-2-yl)nonyl acetate (PubChem CID 171920221) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 9-(6-methylnaphthalen-2-yl)nonyl acetate.

Molecular Properties

Compound Name9-(6-methylnaphthalen-2-yl)nonyl acetate
PubChem CID171920221
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name9-(6-methylnaphthalen-2-yl)nonyl acetate
SMILESCC(=O)OCCCCCCCCCc1ccc2cc(C)ccc2c1
InChIInChI=1S/C22H30O2/c1-18-11-13-22-17-20(12-14-21(22)16-18)10-8-6-4-3-5-7-9-15-24-19(2)23/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyUMJALNDKMNIWAM-UHFFFAOYSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptane;methane;2-(6-methylnaphthalen-2-yl)ethyl acetate
CID 160532911
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
6-(4-chlorophenyl)hexyl acetate
CID 139787467
[7-(4-acetyloxybutyl)phenanthren-2-yl] 2-methylprop-2-enoate
CID 123250548
4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butyl acetate
CID 58389492
4-(6-methylnaphthalen-2-yl)butanehydrazide
CID 116843668
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379
4-(4-iodophenyl)butyl acetate
CID 67358099
3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene
CID 159354455
6-(8-methoxyoctyl)naphthalene-2-carboxylic acid
CID 151877744
(6-octylnaphthalen-2-yl) acetate
CID 23026286
5-(4-nitrophenyl)pentyl acetate
CID 101451915

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylnaphthalen-2-yl)nonyl acetate?
The IUPAC name of 9-(6-methylnaphthalen-2-yl)nonyl acetate (CID 171920221) is 9-(6-methylnaphthalen-2-yl)nonyl acetate.
What is the SMILES notation for 9-(6-methylnaphthalen-2-yl)nonyl acetate?
The canonical SMILES for 9-(6-methylnaphthalen-2-yl)nonyl acetate is CC(=O)OCCCCCCCCCc1ccc2cc(C)ccc2c1.
What is the InChIKey of 9-(6-methylnaphthalen-2-yl)nonyl acetate?
The InChIKey is UMJALNDKMNIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-18-11-13-22-17-20(12-14-21(22)16-18)10-8-6-4-3-5-7-9-15-24-19(2)23/h11-14,16-17H,3-10,15H2,1-2H3.
What are the key properties of 9-(6-methylnaphthalen-2-yl)nonyl acetate?
9-(6-methylnaphthalen-2-yl)nonyl acetate has a molecular weight of 326.48 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylnaphthalen-2-yl)nonyl acetate is sourced from PubChem (CID 171920221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).