[(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate

C15H20O2 — CID 11481678

IUPAC[(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C(/c1ccccc1)C(C)C
InChIInChI=1S/C15H20O2/c1-11(2)15(10-12(3)17-13(4)16)14-8-6-5-7-9-14/h5-12H,1-4H3/b15-10+/t12-/m1/s1
InChIKeyGUFVFSMZWSMGOG-JXCQQFQQSA-N
MW232.32 g/mol
LogP3.68
Rot. Bonds4

About [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate

[(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate (PubChem CID 11481678) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate
PubChem CID11481678
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C(/c1ccccc1)C(C)C
InChIInChI=1S/C15H20O2/c1-11(2)15(10-12(3)17-13(4)16)14-8-6-5-7-9-14/h5-12H,1-4H3/b15-10+/t12-/m1/s1
InChIKeyGUFVFSMZWSMGOG-JXCQQFQQSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-methyl-1,1-diphenylpent-1-en-3-yl) acetate
CID 101081255
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
4-methyl-3-phenylpent-2-enal
CID 86256900
(1-phenyl-1-sulfanylidenepropan-2-yl) acetate
CID 173407900
[(2R)-4-oxo-4-phenylbutan-2-yl] acetate
CID 71440942
[(E,2R)-4-phenylpent-3-en-2-yl] 2,3,4,5,6-pentafluorobenzoate
CID 101254577
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
(1-oxo-1-phenylhex-4-en-2-yl) acetate
CID 70447043
(2S,3R)-3-acetyloxy-2-benzoyloxybutanoic acid
CID 132579135
(3-methyl-1-nitrobut-1-en-2-yl)benzene
CID 67236691
(2R,3R)-2-acetyloxy-3-benzoyloxybutanedioic acid
CID 159363648
(2-methyl-3-oxo-1-phenylpropyl) acetate
CID 122223707

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate?
The IUPAC name of [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate (CID 11481678) is [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate.
What is the SMILES notation for [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate?
The canonical SMILES for [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate is CC(=O)O[C@H](C)/C=C(/c1ccccc1)C(C)C.
What is the InChIKey of [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate?
The InChIKey is GUFVFSMZWSMGOG-JXCQQFQQSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)15(10-12(3)17-13(4)16)14-8-6-5-7-9-14/h5-12H,1-4H3/b15-10+/t12-/m1/s1.
What are the key properties of [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate?
[(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate has a molecular weight of 232.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate is sourced from PubChem (CID 11481678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).