methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate

C19H24O3 — CID 86089008

IUPACmethyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate
SMILESCCCCCc1cccc2c(OCC(=O)OC)c(C)ccc12
InChIInChI=1S/C19H24O3/c1-4-5-6-8-15-9-7-10-17-16(15)12-11-14(2)19(17)22-13-18(20)21-3/h7,9-12H,4-6,8,13H2,1-3H3
InChIKeyLSYWTAFCMMUFFN-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.43
Rot. Bonds7

About methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate

methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate (PubChem CID 86089008) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate
PubChem CID86089008
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Namemethyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate
SMILESCCCCCc1cccc2c(OCC(=O)OC)c(C)ccc12
InChIInChI=1S/C19H24O3/c1-4-5-6-8-15-9-7-10-17-16(15)12-11-14(2)19(17)22-13-18(20)21-3/h7,9-12H,4-6,8,13H2,1-3H3
InChIKeyLSYWTAFCMMUFFN-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
2-methoxy-3-pentylbenzoic acid
CID 67238338
methyl 2-(2-butylphenyl)acetate
CID 141125258
2-(3-butyl-2,6-dimethylphenoxy)acetic acid
CID 142823771
3-hexyl-2-methoxybenzoic acid
CID 90189065
(3-octyl-2-propanoyloxyphenyl) propanoate
CID 90024469
1-pentylnaphthalene;sulfuric acid
CID 172842201
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
methyl 2-(2,6-difluoro-3-methylphenoxy)acetate
CID 146259650
methyl 4-[3-(2,6-dimethylphenoxy)propyl]-3-methylundecanoate
CID 166739782

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate?
The IUPAC name of methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate (CID 86089008) is methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate.
What is the SMILES notation for methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate?
The canonical SMILES for methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate is CCCCCc1cccc2c(OCC(=O)OC)c(C)ccc12.
What is the InChIKey of methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate?
The InChIKey is LSYWTAFCMMUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-5-6-8-15-9-7-10-17-16(15)12-11-14(2)19(17)22-13-18(20)21-3/h7,9-12H,4-6,8,13H2,1-3H3.
What are the key properties of methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate?
methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate has a molecular weight of 300.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 86089008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).