methyl (E)-2,2,4,4-tetramethyldec-5-enoate

C15H28O2 — CID 126703602

IUPACmethyl (E)-2,2,4,4-tetramethyldec-5-enoate
SMILESCCCC/C=C/C(C)(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C15H28O2/c1-7-8-9-10-11-14(2,3)12-15(4,5)13(16)17-6/h10-11H,7-9,12H2,1-6H3/b11-10+
InChIKeyBREXBGPFIMATGO-ZHACJKMWSA-N
MW240.39 g/mol
LogP4.35
Rot. Bonds7

About methyl (E)-2,2,4,4-tetramethyldec-5-enoate

methyl (E)-2,2,4,4-tetramethyldec-5-enoate (PubChem CID 126703602) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is methyl (E)-2,2,4,4-tetramethyldec-5-enoate.

Molecular Properties

Compound Namemethyl (E)-2,2,4,4-tetramethyldec-5-enoate
PubChem CID126703602
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namemethyl (E)-2,2,4,4-tetramethyldec-5-enoate
SMILESCCCC/C=C/C(C)(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C15H28O2/c1-7-8-9-10-11-14(2,3)12-15(4,5)13(16)17-6/h10-11H,7-9,12H2,1-6H3/b11-10+
InChIKeyBREXBGPFIMATGO-ZHACJKMWSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.35
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

methyl (E)-2,2,4,4-tetramethylnon-5-enoate
CID 134380438
dimethyl 2-butyl-2,4,4-trimethylpentanedioate
CID 18710794
(Z)-3,3-dimethylnon-4-enoate
CID 90487568
dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate
CID 10778320
methyl 2,2-dimethylnonadeca-10,13-dienoate
CID 123723232
methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220
(E)-2,2-dimethyloct-3-enoic acid
CID 18786053
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl (E)-hept-2-enoate
CID 5368087
methyl 7,7-dimethylicosa-5,8,11,14-tetraenoate
CID 54043978
methyl (10E,12E)-2,2-dimethyl-9-oxooctadeca-10,12-dienoate
CID 164938319
methyl (9E,11E)-2,2-dimethyl-13-oxooctadeca-9,11-dienoate
CID 156679884

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2,2,4,4-tetramethyldec-5-enoate?
The IUPAC name of methyl (E)-2,2,4,4-tetramethyldec-5-enoate (CID 126703602) is methyl (E)-2,2,4,4-tetramethyldec-5-enoate.
What is the SMILES notation for methyl (E)-2,2,4,4-tetramethyldec-5-enoate?
The canonical SMILES for methyl (E)-2,2,4,4-tetramethyldec-5-enoate is CCCC/C=C/C(C)(C)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl (E)-2,2,4,4-tetramethyldec-5-enoate?
The InChIKey is BREXBGPFIMATGO-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H28O2/c1-7-8-9-10-11-14(2,3)12-15(4,5)13(16)17-6/h10-11H,7-9,12H2,1-6H3/b11-10+.
What are the key properties of methyl (E)-2,2,4,4-tetramethyldec-5-enoate?
methyl (E)-2,2,4,4-tetramethyldec-5-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2,2,4,4-tetramethyldec-5-enoate is sourced from PubChem (CID 126703602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).