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

alpha-Naphthaleneacetic acid, ethyl ester
CID 62428
Ethyl 2-naphthylacetate
CID 256821
Methyl 2-naphthaleneacetate
CID 5314037
Benzeneethanol, alpha-phenyl-, acetate
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Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester
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9-Anthrylmethyl methacrylate
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2-(Naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one
CID 56658285
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-naphthalen-2-ylacetate
CID 118720723
9-Anthracenemethanol, acetate
CID 27876
[(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-yl] acetate
CID 10426650
[(E)-1,7-diphenylhept-6-en-3-yl] acetate
CID 10380587
methyl 3-[(1S,2S)-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoate
CID 25243666

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).