(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid

C19H28O3 — CID 142611207

IUPAC(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
SMILESC/C(=C\CCCCCCCCOCc1ccccc1)C(=O)O
InChIInChI=1S/C19H28O3/c1-17(19(20)21)12-8-5-3-2-4-6-11-15-22-16-18-13-9-7-10-14-18/h7,9-10,12-14H,2-6,8,11,15-16H2,1H3,(H,20,21)/b17-12+
InChIKeyFKHJSANARWBZNE-SFQUDFHCSA-N
MW304.43 g/mol
LogP4.96
Rot. Bonds12

About (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid

(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid (PubChem CID 142611207) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
PubChem CID142611207
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
SMILESC/C(=C\CCCCCCCCOCc1ccccc1)C(=O)O
InChIInChI=1S/C19H28O3/c1-17(19(20)21)12-8-5-3-2-4-6-11-15-22-16-18-13-9-7-10-14-18/h7,9-10,12-14H,2-6,8,11,15-16H2,1H3,(H,20,21)/b17-12+
InChIKeyFKHJSANARWBZNE-SFQUDFHCSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
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(E)-2-methyl-8-phenyloct-2-enoic acid
CID 66912442
ethyl (2E,4E)-4-methyl-10-phenylmethoxydeca-2,4-dienoate
CID 102080513
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
acetic acid;butoxymethylbenzene
CID 139463153
6-phenylmethoxyhexylidenephosphanium
CID 155584050
2-methyl-7-propoxyhept-2-enoic acid
CID 123969455

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid?
The IUPAC name of (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid (CID 142611207) is (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid?
The canonical SMILES for (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid is C/C(=C\CCCCCCCCOCc1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid?
The InChIKey is FKHJSANARWBZNE-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H28O3/c1-17(19(20)21)12-8-5-3-2-4-6-11-15-22-16-18-13-9-7-10-14-18/h7,9-10,12-14H,2-6,8,11,15-16H2,1H3,(H,20,21)/b17-12+.
What are the key properties of (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid?
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid has a molecular weight of 304.43 g/mol, XLogP of 4.96, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-11-phenylmethoxyundec-2-enoic acid is sourced from PubChem (CID 142611207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).