10-O-ethenyl 1-O-prop-2-enyl decanedioate

C15H24O4 — CID 87433585

IUPAC10-O-ethenyl 1-O-prop-2-enyl decanedioate
SMILESC=CCOC(=O)CCCCCCCCC(=O)OC=C
InChIInChI=1S/C15H24O4/c1-3-13-19-15(17)12-10-8-6-5-7-9-11-14(16)18-4-2/h3-4H,1-2,5-13H2
InChIKeyUHDMKXQUQSLIQI-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.52
Rot. Bonds12

About 10-O-ethenyl 1-O-prop-2-enyl decanedioate

10-O-ethenyl 1-O-prop-2-enyl decanedioate (PubChem CID 87433585) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 10-O-ethenyl 1-O-prop-2-enyl decanedioate.

Molecular Properties

Compound Name10-O-ethenyl 1-O-prop-2-enyl decanedioate
PubChem CID87433585
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name10-O-ethenyl 1-O-prop-2-enyl decanedioate
SMILESC=CCOC(=O)CCCCCCCCC(=O)OC=C
InChIInChI=1S/C15H24O4/c1-3-13-19-15(17)12-10-8-6-5-7-9-11-14(16)18-4-2/h3-4H,1-2,5-13H2
InChIKeyUHDMKXQUQSLIQI-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(ethenyl) hexanedioate
CID 19997
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
ethenyl 16-hydroxyhexadecanoate
CID 88593683
ethenyl 6-hydroxyhexanoate
CID 88593109
ethenyl heptatriacontanoate
CID 139682782
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680

Frequently Asked Questions

What is the IUPAC name of 10-O-ethenyl 1-O-prop-2-enyl decanedioate?
The IUPAC name of 10-O-ethenyl 1-O-prop-2-enyl decanedioate (CID 87433585) is 10-O-ethenyl 1-O-prop-2-enyl decanedioate.
What is the SMILES notation for 10-O-ethenyl 1-O-prop-2-enyl decanedioate?
The canonical SMILES for 10-O-ethenyl 1-O-prop-2-enyl decanedioate is C=CCOC(=O)CCCCCCCCC(=O)OC=C.
What is the InChIKey of 10-O-ethenyl 1-O-prop-2-enyl decanedioate?
The InChIKey is UHDMKXQUQSLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-13-19-15(17)12-10-8-6-5-7-9-11-14(16)18-4-2/h3-4H,1-2,5-13H2.
What are the key properties of 10-O-ethenyl 1-O-prop-2-enyl decanedioate?
10-O-ethenyl 1-O-prop-2-enyl decanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.52, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-ethenyl 1-O-prop-2-enyl decanedioate is sourced from PubChem (CID 87433585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).