methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate

C18H24O3 — CID 10827220

IUPACmethyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
SMILESCOC(=O)/C=C\CC/C=C/CCCOCc1ccccc1
InChIInChI=1S/C18H24O3/c1-20-18(19)14-10-5-3-2-4-6-11-15-21-16-17-12-8-7-9-13-17/h2,4,7-10,12-14H,3,5-6,11,15-16H2,1H3/b4-2+,14-10-
InChIKeyCPKLMCPIGYZVJA-JSLIOZFHSA-N
MW288.39 g/mol
LogP4.05
Rot. Bonds10

About methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate

methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate (PubChem CID 10827220) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate.

Molecular Properties

Compound Namemethyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
PubChem CID10827220
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Namemethyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
SMILESCOC(=O)/C=C\CC/C=C/CCCOCc1ccccc1
InChIInChI=1S/C18H24O3/c1-20-18(19)14-10-5-3-2-4-6-11-15-21-16-17-12-8-7-9-13-17/h2,4,7-10,12-14H,3,5-6,11,15-16H2,1H3/b4-2+,14-10-
InChIKeyCPKLMCPIGYZVJA-JSLIOZFHSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751
ethyl (2E,6Z)-8-phenylmethoxyocta-2,6-dienoate
CID 10084732
methyl 7-(phenylmethoxycarbonylamino)hept-2-enoate
CID 167312497
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
undec-4-enoxymethylbenzene
CID 158781580
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
methyl (E)-5-(benzylamino)pent-2-enoate
CID 11085308
(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol
CID 10955854
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
methyl 5-[benzyl(methyl)amino]pent-2-enoate
CID 59035143
methyl (5R)-5-(2-nitrosoethoxy)-6-phenylmethoxyhex-2-enoate
CID 123635926

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate?
The IUPAC name of methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate (CID 10827220) is methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate.
What is the SMILES notation for methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate?
The canonical SMILES for methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate is COC(=O)/C=C\CC/C=C/CCCOCc1ccccc1.
What is the InChIKey of methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate?
The InChIKey is CPKLMCPIGYZVJA-JSLIOZFHSA-N. The full InChI is InChI=1S/C18H24O3/c1-20-18(19)14-10-5-3-2-4-6-11-15-21-16-17-12-8-7-9-13-17/h2,4,7-10,12-14H,3,5-6,11,15-16H2,1H3/b4-2+,14-10-.
What are the key properties of methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate?
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate has a molecular weight of 288.39 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate is sourced from PubChem (CID 10827220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).