2-naphthalen-1-ylpent-4-enyl acetate

C17H18O2 — CID 68621021

IUPAC2-naphthalen-1-ylpent-4-enyl acetate
SMILESC=CCC(COC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c1-3-7-15(12-19-13(2)18)17-11-6-9-14-8-4-5-10-16(14)17/h3-6,8-11,15H,1,7,12H2,2H3
InChIKeyBKMWXYSXXHRUEJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.06
Rot. Bonds5

About 2-naphthalen-1-ylpent-4-enyl acetate

2-naphthalen-1-ylpent-4-enyl acetate (PubChem CID 68621021) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-naphthalen-1-ylpent-4-enyl acetate.

Molecular Properties

Compound Name2-naphthalen-1-ylpent-4-enyl acetate
PubChem CID68621021
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-naphthalen-1-ylpent-4-enyl acetate
SMILESC=CCC(COC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c1-3-7-15(12-19-13(2)18)17-11-6-9-14-8-4-5-10-16(14)17/h3-6,8-11,15H,1,7,12H2,2H3
InChIKeyBKMWXYSXXHRUEJ-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-1-carbaldehyde;1-naphthalen-1-ylbut-3-en-1-ol;prop-2-enyl acetate
CID 159972832
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
dimethyl 2-[(1S)-1-naphthalen-1-ylprop-2-enyl]propanedioate
CID 11001003
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] hexanoate
CID 3088938
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate
CID 143369677
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
1-naphthalen-1-ylethyl carbamate
CID 14959373
1-bromonaphthalene;ethyl acetate
CID 174701455

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylpent-4-enyl acetate?
The IUPAC name of 2-naphthalen-1-ylpent-4-enyl acetate (CID 68621021) is 2-naphthalen-1-ylpent-4-enyl acetate.
What is the SMILES notation for 2-naphthalen-1-ylpent-4-enyl acetate?
The canonical SMILES for 2-naphthalen-1-ylpent-4-enyl acetate is C=CCC(COC(C)=O)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylpent-4-enyl acetate?
The InChIKey is BKMWXYSXXHRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-7-15(12-19-13(2)18)17-11-6-9-14-8-4-5-10-16(14)17/h3-6,8-11,15H,1,7,12H2,2H3.
What are the key properties of 2-naphthalen-1-ylpent-4-enyl acetate?
2-naphthalen-1-ylpent-4-enyl acetate has a molecular weight of 254.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylpent-4-enyl acetate is sourced from PubChem (CID 68621021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).