3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate

C24H42O4 — CID 6448202

IUPAC3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OC(C)C(C)OC(=O)/C=C/CCCCCCC
InChIInChI=1S/C24H42O4/c1-5-7-9-11-13-15-17-19-23(25)27-21(3)22(4)28-24(26)20-18-16-14-12-10-8-6-2/h17-22H,5-16H2,1-4H3/b19-17+,20-18+
InChIKeyADQDCXXXKFMDPI-XPWSMXQVSA-N
MW394.60 g/mol
LogP6.68
Rot. Bonds17

About 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate

3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate (PubChem CID 6448202) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate.

Molecular Properties

Compound Name3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate
PubChem CID6448202
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Name3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OC(C)C(C)OC(=O)/C=C/CCCCCCC
InChIInChI=1S/C24H42O4/c1-5-7-9-11-13-15-17-19-23(25)27-21(3)22(4)28-24(26)20-18-16-14-12-10-8-6-2/h17-22H,5-16H2,1-4H3/b19-17+,20-18+
InChIKeyADQDCXXXKFMDPI-XPWSMXQVSA-N
XLogP6.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate?
The IUPAC name of 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate (CID 6448202) is 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate.
What is the SMILES notation for 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate?
The canonical SMILES for 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate is CCCCCCC/C=C/C(=O)OC(C)C(C)OC(=O)/C=C/CCCCCCC.
What is the InChIKey of 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate?
The InChIKey is ADQDCXXXKFMDPI-XPWSMXQVSA-N. The full InChI is InChI=1S/C24H42O4/c1-5-7-9-11-13-15-17-19-23(25)27-21(3)22(4)28-24(26)20-18-16-14-12-10-8-6-2/h17-22H,5-16H2,1-4H3/b19-17+,20-18+.
What are the key properties of 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate?
3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate has a molecular weight of 394.60 g/mol, XLogP of 6.68, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate is sourced from PubChem (CID 6448202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).