[2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate

C18H22O2 — CID 102029933

IUPAC[2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate
SMILESC=C(C=C1CCC1)C(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C18H22O2/c1-14(13-17-9-6-10-17)18(20-15(2)19)12-11-16-7-4-3-5-8-16/h3-5,7-8,13,18H,1,6,9-12H2,2H3
InChIKeyZWSQFEAMFFOYQA-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.22
Rot. Bonds6

About [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate

[2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate (PubChem CID 102029933) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate
PubChem CID102029933
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate
SMILESC=C(C=C1CCC1)C(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C18H22O2/c1-14(13-17-9-6-10-17)18(20-15(2)19)12-11-16-7-4-3-5-8-16/h3-5,7-8,13,18H,1,6,9-12H2,2H3
InChIKeyZWSQFEAMFFOYQA-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-oxo-1-phenylhexan-3-yl) acetate
CID 71337403
ethyl 3-acetyloxy-2-methylidene-5-phenylpentanoate
CID 102149568
2-acetyloxy-5-phenylpentanethioic S-acid
CID 19046783
(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
ethyl 2-acetyloxy-4-phenylbutanoate;ethyl 2-hydroxy-4-phenylbutanoate
CID 161281171
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
5-phenylpent-1-yn-3-yl acetate
CID 10035749
[4-(difluoromethylidene)-1-phenylnonan-3-yl] acetate
CID 11130694
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate
CID 10566425
ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
[(5S)-9-phenylnon-1-en-6-yn-5-yl] acetate
CID 44552479

Frequently Asked Questions

What is the IUPAC name of [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate?
The IUPAC name of [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate (CID 102029933) is [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate.
What is the SMILES notation for [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate?
The canonical SMILES for [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate is C=C(C=C1CCC1)C(CCc1ccccc1)OC(C)=O.
What is the InChIKey of [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate?
The InChIKey is ZWSQFEAMFFOYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-14(13-17-9-6-10-17)18(20-15(2)19)12-11-16-7-4-3-5-8-16/h3-5,7-8,13,18H,1,6,9-12H2,2H3.
What are the key properties of [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate?
[2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate has a molecular weight of 270.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclobutylidenemethyl)-5-phenylpent-1-en-3-yl] acetate is sourced from PubChem (CID 102029933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).