3-naphthalen-1-ylbut-3-enyl acetate

C16H16O2 — CID 102256819

IUPAC3-naphthalen-1-ylbut-3-enyl acetate
SMILESC=C(CCOC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-12(10-11-18-13(2)17)15-9-5-7-14-6-3-4-8-16(14)15/h3-9H,1,10-11H2,2H3
InChIKeyKULVTLQMNMZWKM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.81
Rot. Bonds4

About 3-naphthalen-1-ylbut-3-enyl acetate

3-naphthalen-1-ylbut-3-enyl acetate (PubChem CID 102256819) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-naphthalen-1-ylbut-3-enyl acetate.

Molecular Properties

Compound Name3-naphthalen-1-ylbut-3-enyl acetate
PubChem CID102256819
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-naphthalen-1-ylbut-3-enyl acetate
SMILESC=C(CCOC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-12(10-11-18-13(2)17)15-9-5-7-14-6-3-4-8-16(14)15/h3-9H,1,10-11H2,2H3
InChIKeyKULVTLQMNMZWKM-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylbut-3-enyl acetate?
The IUPAC name of 3-naphthalen-1-ylbut-3-enyl acetate (CID 102256819) is 3-naphthalen-1-ylbut-3-enyl acetate.
What is the SMILES notation for 3-naphthalen-1-ylbut-3-enyl acetate?
The canonical SMILES for 3-naphthalen-1-ylbut-3-enyl acetate is C=C(CCOC(C)=O)c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylbut-3-enyl acetate?
The InChIKey is KULVTLQMNMZWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(10-11-18-13(2)17)15-9-5-7-14-6-3-4-8-16(14)15/h3-9H,1,10-11H2,2H3.
What are the key properties of 3-naphthalen-1-ylbut-3-enyl acetate?
3-naphthalen-1-ylbut-3-enyl acetate has a molecular weight of 240.30 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylbut-3-enyl acetate is sourced from PubChem (CID 102256819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).