methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate

C17H18O3 — CID 118307158

IUPACmethyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate
SMILESC=CCC(C)Oc1c(C(=O)OC)ccc2ccccc12
InChIInChI=1S/C17H18O3/c1-4-7-12(2)20-16-14-9-6-5-8-13(14)10-11-15(16)17(18)19-3/h4-6,8-12H,1,7H2,2-3H3
InChIKeyKRXRLZWUHLHFPQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.97
Rot. Bonds5

About methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate

methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate (PubChem CID 118307158) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate
PubChem CID118307158
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate
SMILESC=CCC(C)Oc1c(C(=O)OC)ccc2ccccc12
InChIInChI=1S/C17H18O3/c1-4-7-12(2)20-16-14-9-6-5-8-13(14)10-11-15(16)17(18)19-3/h4-6,8-12H,1,7H2,2-3H3
InChIKeyKRXRLZWUHLHFPQ-UHFFFAOYSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
methyl 4-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 58407547
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 5-fluoro-2-pent-4-en-2-yloxybenzoate
CID 118307052
methyl 5-fluoro-2-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 118318794
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl picene-13,14-dicarboxylate
CID 101053496
(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
methyl 2-[(1R)-1-aminobut-3-enyl]benzoate;hydrochloride
CID 171211058

Frequently Asked Questions

What is the IUPAC name of methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate?
The IUPAC name of methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate (CID 118307158) is methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate is C=CCC(C)Oc1c(C(=O)OC)ccc2ccccc12.
What is the InChIKey of methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate?
The InChIKey is KRXRLZWUHLHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-7-12(2)20-16-14-9-6-5-8-13(14)10-11-15(16)17(18)19-3/h4-6,8-12H,1,7H2,2-3H3.
What are the key properties of methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate?
methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pent-4-en-2-yloxynaphthalene-2-carboxylate is sourced from PubChem (CID 118307158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).