2-methyl-4-phenyldeca-6,8-dienoic acid

C17H22O2 — CID 58782939

IUPAC2-methyl-4-phenyldeca-6,8-dienoic acid
SMILESCC=CC=CCC(CC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C17H22O2/c1-3-4-5-7-12-16(13-14(2)17(18)19)15-10-8-6-9-11-15/h3-11,14,16H,12-13H2,1-2H3,(H,18,19)
InChIKeyKVVQFCPYRWRSNK-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.40
Rot. Bonds7

About 2-methyl-4-phenyldeca-6,8-dienoic acid

2-methyl-4-phenyldeca-6,8-dienoic acid (PubChem CID 58782939) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-4-phenyldeca-6,8-dienoic acid.

Molecular Properties

Compound Name2-methyl-4-phenyldeca-6,8-dienoic acid
PubChem CID58782939
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-methyl-4-phenyldeca-6,8-dienoic acid
SMILESCC=CC=CCC(CC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C17H22O2/c1-3-4-5-7-12-16(13-14(2)17(18)19)15-10-8-6-9-11-15/h3-11,14,16H,12-13H2,1-2H3,(H,18,19)
InChIKeyKVVQFCPYRWRSNK-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene
CID 156727063
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
1-amino-1-phenylocta-4,6-dien-2-ol
CID 123456345
(E,3R)-3-phenylhept-5-enal
CID 102328928
(E)-5-phenylhept-2-enal
CID 122379804
(2R,4E,6E)-2-benzylocta-4,6-dienamide
CID 125467073
[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147
2-methyl-4-phenylhexanoate
CID 59456763
(E)-2,4-dimethyloct-6-enoic acid
CID 155168823
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
(Z)-3-phenylhept-5-en-2-one
CID 5363833
3-[(2E,4E)-hexa-2,4-dienyl]-3-(1-phenylprop-2-enyl)pentane-2,4-dione
CID 20732857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyldeca-6,8-dienoic acid?
The IUPAC name of 2-methyl-4-phenyldeca-6,8-dienoic acid (CID 58782939) is 2-methyl-4-phenyldeca-6,8-dienoic acid.
What is the SMILES notation for 2-methyl-4-phenyldeca-6,8-dienoic acid?
The canonical SMILES for 2-methyl-4-phenyldeca-6,8-dienoic acid is CC=CC=CCC(CC(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-4-phenyldeca-6,8-dienoic acid?
The InChIKey is KVVQFCPYRWRSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-4-5-7-12-16(13-14(2)17(18)19)15-10-8-6-9-11-15/h3-11,14,16H,12-13H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-4-phenyldeca-6,8-dienoic acid?
2-methyl-4-phenyldeca-6,8-dienoic acid has a molecular weight of 258.36 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyldeca-6,8-dienoic acid is sourced from PubChem (CID 58782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).