(E)-2,5-dimethyl-6-phenylhex-2-enoic acid

C14H18O2 — CID 67879013

IUPAC(E)-2,5-dimethyl-6-phenylhex-2-enoic acid
SMILESC/C(=C\CC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H18O2/c1-11(8-9-12(2)14(15)16)10-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3,(H,15,16)/b12-9+
InChIKeyFAXLCZNUAUKLGL-FMIVXFBMSA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds5

About (E)-2,5-dimethyl-6-phenylhex-2-enoic acid

(E)-2,5-dimethyl-6-phenylhex-2-enoic acid (PubChem CID 67879013) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-2,5-dimethyl-6-phenylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-2,5-dimethyl-6-phenylhex-2-enoic acid
PubChem CID67879013
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E)-2,5-dimethyl-6-phenylhex-2-enoic acid
SMILESC/C(=C\CC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H18O2/c1-11(8-9-12(2)14(15)16)10-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3,(H,15,16)/b12-9+
InChIKeyFAXLCZNUAUKLGL-FMIVXFBMSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-5-phenylpent-2-enoic acid
CID 76793021
4-methyl-5-phenylpent-1-en-1-ol
CID 70372355
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
oxalic acid;1-phenylpropan-2-ol
CID 162336088
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one
CID 162136934
(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid
CID 70116548
(E)-2-methyl-8-phenyloct-2-enoic acid
CID 66912442
2-benzyl-3-methylbut-3-enoic acid
CID 57064643
2,4,5-trimethylhex-4-enylbenzene
CID 20701242
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288

Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethyl-6-phenylhex-2-enoic acid?
The IUPAC name of (E)-2,5-dimethyl-6-phenylhex-2-enoic acid (CID 67879013) is (E)-2,5-dimethyl-6-phenylhex-2-enoic acid.
What is the SMILES notation for (E)-2,5-dimethyl-6-phenylhex-2-enoic acid?
The canonical SMILES for (E)-2,5-dimethyl-6-phenylhex-2-enoic acid is C/C(=C\CC(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of (E)-2,5-dimethyl-6-phenylhex-2-enoic acid?
The InChIKey is FAXLCZNUAUKLGL-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(8-9-12(2)14(15)16)10-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3,(H,15,16)/b12-9+.
What are the key properties of (E)-2,5-dimethyl-6-phenylhex-2-enoic acid?
(E)-2,5-dimethyl-6-phenylhex-2-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethyl-6-phenylhex-2-enoic acid is sourced from PubChem (CID 67879013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).