dec-2-ene;oxolane-2,5-dione

C14H24O3 — CID 175141022

IUPACdec-2-ene;oxolane-2,5-dione
SMILESCC=CCCCCCCC.O=C1CCC(=O)O1
InChIInChI=1S/C10H20.C4H4O3/c1-3-5-7-9-10-8-6-4-2;5-3-1-2-4(6)7-3/h3,5H,4,6-10H2,1-2H3;1-2H2
InChIKeyDBAUUQHNNHDGOA-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.77
Rot. Bonds6

About dec-2-ene;oxolane-2,5-dione

dec-2-ene;oxolane-2,5-dione (PubChem CID 175141022) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is dec-2-ene;oxolane-2,5-dione.

Molecular Properties

Compound Namedec-2-ene;oxolane-2,5-dione
PubChem CID175141022
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namedec-2-ene;oxolane-2,5-dione
SMILESCC=CCCCCCCC.O=C1CCC(=O)O1
InChIInChI=1S/C10H20.C4H4O3/c1-3-5-7-9-10-8-6-4-2;5-3-1-2-4(6)7-3/h3,5H,4,6-10H2,1-2H3;1-2H2
InChIKeyDBAUUQHNNHDGOA-UHFFFAOYSA-N
XLogP3.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.77
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

methyl (Z)-octadec-9-enoate;oxolane-2,5-dione
CID 175105186
(Z)-icos-2-ene
CID 5352524
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(Z)-oct-2-ene
CID 5356796
pentadeca-2,6-diene
CID 165019979
sodium;hydride;octadec-2-ene
CID 175594563
3-hydroxy-3-[(E)-oct-1-enyl]-1,6-dioxecane-2,5,7,10-tetrone
CID 139778450
oct-2-ene;hydrochloride
CID 86744102
(Z)-dodec-2-ene;propan-2-one
CID 175013676
3-icos-1-enyloxane-2,6-dione
CID 54346397
3-hexadec-1-enyloxane-2,6-dione
CID 54115063

Frequently Asked Questions

What is the IUPAC name of dec-2-ene;oxolane-2,5-dione?
The IUPAC name of dec-2-ene;oxolane-2,5-dione (CID 175141022) is dec-2-ene;oxolane-2,5-dione.
What is the SMILES notation for dec-2-ene;oxolane-2,5-dione?
The canonical SMILES for dec-2-ene;oxolane-2,5-dione is CC=CCCCCCCC.O=C1CCC(=O)O1.
What is the InChIKey of dec-2-ene;oxolane-2,5-dione?
The InChIKey is DBAUUQHNNHDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C4H4O3/c1-3-5-7-9-10-8-6-4-2;5-3-1-2-4(6)7-3/h3,5H,4,6-10H2,1-2H3;1-2H2.
What are the key properties of dec-2-ene;oxolane-2,5-dione?
dec-2-ene;oxolane-2,5-dione has a molecular weight of 240.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-ene;oxolane-2,5-dione is sourced from PubChem (CID 175141022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).