2-methylundec-4-enoyl 2-methylundec-4-enoate

C24H42O3 — CID 175429820

IUPAC2-methylundec-4-enoyl 2-methylundec-4-enoate
SMILESCCCCCCC=CCC(C)C(=O)OC(=O)C(C)CC=CCCCCCC
InChIInChI=1S/C24H42O3/c1-5-7-9-11-13-15-17-19-21(3)23(25)27-24(26)22(4)20-18-16-14-12-10-8-6-2/h15-18,21-22H,5-14,19-20H2,1-4H3
InChIKeyYEYQSLYOPKDVSC-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.16
Rot. Bonds16

About 2-methylundec-4-enoyl 2-methylundec-4-enoate

2-methylundec-4-enoyl 2-methylundec-4-enoate (PubChem CID 175429820) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 2-methylundec-4-enoyl 2-methylundec-4-enoate.

Molecular Properties

Compound Name2-methylundec-4-enoyl 2-methylundec-4-enoate
PubChem CID175429820
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name2-methylundec-4-enoyl 2-methylundec-4-enoate
SMILESCCCCCCC=CCC(C)C(=O)OC(=O)C(C)CC=CCCCCCC
InChIInChI=1S/C24H42O3/c1-5-7-9-11-13-15-17-19-21(3)23(25)27-24(26)22(4)20-18-16-14-12-10-8-6-2/h15-18,21-22H,5-14,19-20H2,1-4H3
InChIKeyYEYQSLYOPKDVSC-UHFFFAOYSA-N
XLogP7.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

acetyl (Z,12R)-12-hydroxy-2-methyloctadec-9-enoate
CID 87094580
2-hexadecyloctadec-9-enoyl 2-hexadecyloctadec-9-enoate
CID 173425586
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
(E)-2-methyloctadec-9-enamide
CID 19371032
2-[(Z)-oct-2-enyl]propanedioic acid
CID 156873558
(E)-dodec-4-en-2-amine
CID 55254669
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(Z,3S)-3-methyldodec-5-enoic acid
CID 169492038
tert-butyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]undec-4-enoate
CID 10665908
ethane;ethyl 2-methylpropanoate;ethyl propanoate;heptadec-8-ene
CID 91140389
bis(octadec-9-enyl) 2-methylbutanedioate
CID 90756490

Frequently Asked Questions

What is the IUPAC name of 2-methylundec-4-enoyl 2-methylundec-4-enoate?
The IUPAC name of 2-methylundec-4-enoyl 2-methylundec-4-enoate (CID 175429820) is 2-methylundec-4-enoyl 2-methylundec-4-enoate.
What is the SMILES notation for 2-methylundec-4-enoyl 2-methylundec-4-enoate?
The canonical SMILES for 2-methylundec-4-enoyl 2-methylundec-4-enoate is CCCCCCC=CCC(C)C(=O)OC(=O)C(C)CC=CCCCCCC.
What is the InChIKey of 2-methylundec-4-enoyl 2-methylundec-4-enoate?
The InChIKey is YEYQSLYOPKDVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-5-7-9-11-13-15-17-19-21(3)23(25)27-24(26)22(4)20-18-16-14-12-10-8-6-2/h15-18,21-22H,5-14,19-20H2,1-4H3.
What are the key properties of 2-methylundec-4-enoyl 2-methylundec-4-enoate?
2-methylundec-4-enoyl 2-methylundec-4-enoate has a molecular weight of 378.60 g/mol, XLogP of 7.16, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundec-4-enoyl 2-methylundec-4-enoate is sourced from PubChem (CID 175429820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).