methyl (Z)-tetradec-9-enoate

C15H28O2 — CID 5352674

IUPACmethyl (Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=O)OC
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChIKeyRWIPSJUSVXDVPB-SREVYHEPSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About methyl (Z)-tetradec-9-enoate

methyl (Z)-tetradec-9-enoate (PubChem CID 5352674) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is methyl (Z)-tetradec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-tetradec-9-enoate
PubChem CID5352674
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namemethyl (Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=O)OC
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChIKeyRWIPSJUSVXDVPB-SREVYHEPSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Oleic Acid
CID 445639
Linolenic Acid
CID 5280934
Linoleic Acid
CID 5280450
Erucic Acid
CID 5281116
Elaidic Acid
CID 637517
Ethyl Oleate
CID 5363269
Palmitoleic Acid
CID 445638
Methyl Oleate
CID 5364509
Dihomo-Gamma-Linolenic Acid
CID 5280581
Linolelaidic Acid
CID 5282457
cis-11-Eicosenoic acid
CID 5282768
Methyl linoleate
CID 5284421

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-tetradec-9-enoate?
The IUPAC name of methyl (Z)-tetradec-9-enoate (CID 5352674) is methyl (Z)-tetradec-9-enoate.
What is the SMILES notation for methyl (Z)-tetradec-9-enoate?
The canonical SMILES for methyl (Z)-tetradec-9-enoate is CCCC/C=C\CCCCCCCC(=O)OC.
What is the InChIKey of methyl (Z)-tetradec-9-enoate?
The InChIKey is RWIPSJUSVXDVPB-SREVYHEPSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-.
What are the key properties of methyl (Z)-tetradec-9-enoate?
methyl (Z)-tetradec-9-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-tetradec-9-enoate is sourced from PubChem (CID 5352674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).