methyl (Z)-2-methoxytetradec-6-enoate

C16H30O3 — CID 11065524

IUPACmethyl (Z)-2-methoxytetradec-6-enoate
SMILESCCCCCCC/C=C\CCCC(OC)C(=O)OC
InChIInChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15(18-2)16(17)19-3/h10-11,15H,4-9,12-14H2,1-3H3/b11-10-
InChIKeyODHFEGRMTMOKDS-KHPPLWFESA-N
MW270.41 g/mol
LogP4.26
Rot. Bonds12

About methyl (Z)-2-methoxytetradec-6-enoate

methyl (Z)-2-methoxytetradec-6-enoate (PubChem CID 11065524) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is methyl (Z)-2-methoxytetradec-6-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-methoxytetradec-6-enoate
PubChem CID11065524
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namemethyl (Z)-2-methoxytetradec-6-enoate
SMILESCCCCCCC/C=C\CCCC(OC)C(=O)OC
InChIInChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15(18-2)16(17)19-3/h10-11,15H,4-9,12-14H2,1-3H3/b11-10-
InChIKeyODHFEGRMTMOKDS-KHPPLWFESA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.26
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'}

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Related Compounds

methyl 2-methoxyheptanoate
CID 87952097
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
(E)-2-methoxyundec-6-enamide
CID 143582513
methyl (E)-2-aminododec-6-enoate
CID 175078394
methyl (Z)-2-aminohexadec-9-enoate
CID 150010040
methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
2-methoxycarbonylhexadec-9-enoic acid
CID 140652671
methyl (Z)-2-propyloctadec-9-enoate
CID 174670601
ethyl 2-methoxyoctadeca-9,12,15-trienoate
CID 72538133
[(Z)-octadec-9-enyl] 3-hydroxy-2-methoxypropanoate
CID 87759084
methyl (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoate
CID 20839371
methyl (Z)-2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)pentacos-9-enoate
CID 5352165

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-methoxytetradec-6-enoate?
The IUPAC name of methyl (Z)-2-methoxytetradec-6-enoate (CID 11065524) is methyl (Z)-2-methoxytetradec-6-enoate.
What is the SMILES notation for methyl (Z)-2-methoxytetradec-6-enoate?
The canonical SMILES for methyl (Z)-2-methoxytetradec-6-enoate is CCCCCCC/C=C\CCCC(OC)C(=O)OC.
What is the InChIKey of methyl (Z)-2-methoxytetradec-6-enoate?
The InChIKey is ODHFEGRMTMOKDS-KHPPLWFESA-N. The full InChI is InChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15(18-2)16(17)19-3/h10-11,15H,4-9,12-14H2,1-3H3/b11-10-.
What are the key properties of methyl (Z)-2-methoxytetradec-6-enoate?
methyl (Z)-2-methoxytetradec-6-enoate has a molecular weight of 270.41 g/mol, XLogP of 4.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-methoxytetradec-6-enoate is sourced from PubChem (CID 11065524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).