methyl 8-naphthalen-1-yloxyoct-6-enoate

C19H22O3 — CID 140570475

IUPACmethyl 8-naphthalen-1-yloxyoct-6-enoate
SMILESCOC(=O)CCCCC=CCOc1cccc2ccccc12
InChIInChI=1S/C19H22O3/c1-21-19(20)14-5-3-2-4-8-15-22-18-13-9-11-16-10-6-7-12-17(16)18/h4,6-13H,2-3,5,14-15H2,1H3
InChIKeyRATGNODLSWIQPF-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.51
Rot. Bonds8

About methyl 8-naphthalen-1-yloxyoct-6-enoate

methyl 8-naphthalen-1-yloxyoct-6-enoate (PubChem CID 140570475) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 8-naphthalen-1-yloxyoct-6-enoate.

Molecular Properties

Compound Namemethyl 8-naphthalen-1-yloxyoct-6-enoate
PubChem CID140570475
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namemethyl 8-naphthalen-1-yloxyoct-6-enoate
SMILESCOC(=O)CCCCC=CCOc1cccc2ccccc12
InChIInChI=1S/C19H22O3/c1-21-19(20)14-5-3-2-4-8-15-22-18-13-9-11-16-10-6-7-12-17(16)18/h4,6-13H,2-3,5,14-15H2,1H3
InChIKeyRATGNODLSWIQPF-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
methyl 8-(cyclohexylamino)-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoate
CID 66987722
methyl 7-[(1-methoxypropan-2-ylamino)methyl]-8-naphthalen-1-yloxyoct-6-enoate
CID 66987341
dinaphthalen-1-yl dodecanedioate
CID 14512922
methyl (E)-8-(furan-2-ylamino)-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoate
CID 141170931
dimethyl (E)-non-3-enedioate
CID 14690983
dimethyl (E)-triacont-15-enedioate
CID 10767955
naphthalen-1-yl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 24881381
methyl (E)-8-[2-[di(propan-2-yl)amino]ethylamino]-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoate
CID 66987892
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969
dimethyl (E)-hexacos-3-enedioate
CID 118195406

Frequently Asked Questions

What is the IUPAC name of methyl 8-naphthalen-1-yloxyoct-6-enoate?
The IUPAC name of methyl 8-naphthalen-1-yloxyoct-6-enoate (CID 140570475) is methyl 8-naphthalen-1-yloxyoct-6-enoate.
What is the SMILES notation for methyl 8-naphthalen-1-yloxyoct-6-enoate?
The canonical SMILES for methyl 8-naphthalen-1-yloxyoct-6-enoate is COC(=O)CCCCC=CCOc1cccc2ccccc12.
What is the InChIKey of methyl 8-naphthalen-1-yloxyoct-6-enoate?
The InChIKey is RATGNODLSWIQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-21-19(20)14-5-3-2-4-8-15-22-18-13-9-11-16-10-6-7-12-17(16)18/h4,6-13H,2-3,5,14-15H2,1H3.
What are the key properties of methyl 8-naphthalen-1-yloxyoct-6-enoate?
methyl 8-naphthalen-1-yloxyoct-6-enoate has a molecular weight of 298.38 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-naphthalen-1-yloxyoct-6-enoate is sourced from PubChem (CID 140570475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).