[(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate

C15H20O2 — CID 11368271

IUPAC[(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(/c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20O2/c1-12(16)17-11-10-14(15(2,3)4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3/b14-10-
InChIKeyWTZFWRKDFXAOBS-UVTDQMKNSA-N
MW232.32 g/mol
LogP3.68
Rot. Bonds3

About [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate

[(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate (PubChem CID 11368271) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate
PubChem CID11368271
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(/c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20O2/c1-12(16)17-11-10-14(15(2,3)4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3/b14-10-
InChIKeyWTZFWRKDFXAOBS-UVTDQMKNSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl] acetate
CID 15450715
(2-methyl-1-oxo-1-phenylpropan-2-yl)oxymethyl acetate
CID 20547340
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(Z)-3-fluoro-3-(2-phenylethylsulfanyl)prop-2-enyl] acetate
CID 70378190
3-methylbut-2-enyl acetate
CID 87304509
[(3E)-4-phenylhexa-3,5-dienyl] acetate
CID 102287697
[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate
CID 70189068
diphenylmethanimine;ethyl acetate
CID 174383582
benzoic acid;butyl acetate
CID 67420594
[(E)-7-chloro-3,7-dimethyloct-2-enyl] benzoate
CID 101245859
[(Z)-4-(acetyloxymethoxy)but-2-enyl] benzoate
CID 10683011

Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate?
The IUPAC name of [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate (CID 11368271) is [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate.
What is the SMILES notation for [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate?
The canonical SMILES for [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate is CC(=O)OC/C=C(/c1ccccc1)C(C)(C)C.
What is the InChIKey of [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate?
The InChIKey is WTZFWRKDFXAOBS-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(16)17-11-10-14(15(2,3)4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3/b14-10-.
What are the key properties of [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate?
[(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate has a molecular weight of 232.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-dimethyl-3-phenylpent-2-enyl] acetate is sourced from PubChem (CID 11368271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).