(E)-2-methyl-8-phenyloct-2-enoic acid

C15H20O2 — CID 66912442

IUPAC(E)-2-methyl-8-phenyloct-2-enoic acid
SMILESC/C(=C\CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20O2/c1-13(15(16)17)9-5-2-3-6-10-14-11-7-4-8-12-14/h4,7-9,11-12H,2-3,5-6,10H2,1H3,(H,16,17)/b13-9+
InChIKeyKWPNKRLWMXGMSF-UKTHLTGXSA-N
MW232.32 g/mol
LogP3.82
Rot. Bonds7

About (E)-2-methyl-8-phenyloct-2-enoic acid

(E)-2-methyl-8-phenyloct-2-enoic acid (PubChem CID 66912442) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (E)-2-methyl-8-phenyloct-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-8-phenyloct-2-enoic acid
PubChem CID66912442
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(E)-2-methyl-8-phenyloct-2-enoic acid
SMILESC/C(=C\CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20O2/c1-13(15(16)17)9-5-2-3-6-10-14-11-7-4-8-12-14/h4,7-9,11-12H,2-3,5-6,10H2,1H3,(H,16,17)/b13-9+
InChIKeyKWPNKRLWMXGMSF-UKTHLTGXSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
(E)-2-methyl-9-phenoxynon-2-enoic acid
CID 118914903
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
N-(8-phenyloct-2-enyl)acetamide
CID 123336500
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
5-[dimethyl(3-phenylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
CID 68786757
(2Z)-2-pentylidene-8-phenyloctanamide
CID 118453451
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-8-phenyloct-2-enoic acid?
The IUPAC name of (E)-2-methyl-8-phenyloct-2-enoic acid (CID 66912442) is (E)-2-methyl-8-phenyloct-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-8-phenyloct-2-enoic acid?
The canonical SMILES for (E)-2-methyl-8-phenyloct-2-enoic acid is C/C(=C\CCCCCc1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-methyl-8-phenyloct-2-enoic acid?
The InChIKey is KWPNKRLWMXGMSF-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H20O2/c1-13(15(16)17)9-5-2-3-6-10-14-11-7-4-8-12-14/h4,7-9,11-12H,2-3,5-6,10H2,1H3,(H,16,17)/b13-9+.
What are the key properties of (E)-2-methyl-8-phenyloct-2-enoic acid?
(E)-2-methyl-8-phenyloct-2-enoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-8-phenyloct-2-enoic acid is sourced from PubChem (CID 66912442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).