methyl 2,4,6,8-tetramethyltetradec-13-enoate

C19H36O2 — CID 560347

IUPACmethyl 2,4,6,8-tetramethyltetradec-13-enoate
SMILESC=CCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC
InChIInChI=1S/C19H36O2/c1-7-8-9-10-11-15(2)12-16(3)13-17(4)14-18(5)19(20)21-6/h7,15-18H,1,8-14H2,2-6H3
InChIKeyUZLGGZPVSRQVGW-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.62
Rot. Bonds12

About methyl 2,4,6,8-tetramethyltetradec-13-enoate

methyl 2,4,6,8-tetramethyltetradec-13-enoate (PubChem CID 560347) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is methyl 2,4,6,8-tetramethyltetradec-13-enoate.

Molecular Properties

Compound Namemethyl 2,4,6,8-tetramethyltetradec-13-enoate
PubChem CID560347
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Namemethyl 2,4,6,8-tetramethyltetradec-13-enoate
SMILESC=CCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC
InChIInChI=1S/C19H36O2/c1-7-8-9-10-11-15(2)12-16(3)13-17(4)14-18(5)19(20)21-6/h7,15-18H,1,8-14H2,2-6H3
InChIKeyUZLGGZPVSRQVGW-UHFFFAOYSA-N
XLogP5.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.62
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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Frequently Asked Questions

What is the IUPAC name of methyl 2,4,6,8-tetramethyltetradec-13-enoate?
The IUPAC name of methyl 2,4,6,8-tetramethyltetradec-13-enoate (CID 560347) is methyl 2,4,6,8-tetramethyltetradec-13-enoate.
What is the SMILES notation for methyl 2,4,6,8-tetramethyltetradec-13-enoate?
The canonical SMILES for methyl 2,4,6,8-tetramethyltetradec-13-enoate is C=CCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2,4,6,8-tetramethyltetradec-13-enoate?
The InChIKey is UZLGGZPVSRQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-7-8-9-10-11-15(2)12-16(3)13-17(4)14-18(5)19(20)21-6/h7,15-18H,1,8-14H2,2-6H3.
What are the key properties of methyl 2,4,6,8-tetramethyltetradec-13-enoate?
methyl 2,4,6,8-tetramethyltetradec-13-enoate has a molecular weight of 296.50 g/mol, XLogP of 5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,6,8-tetramethyltetradec-13-enoate is sourced from PubChem (CID 560347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).