3-tridecan-3-ylideneoxiran-2-one

C15H26O2 — CID 140980227

IUPAC3-tridecan-3-ylideneoxiran-2-one
SMILESCCCCCCCCCCC(CC)=C1OC1=O
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14-15(16)17-14/h3-12H2,1-2H3
InChIKeyWKSCWQWHTMFWRS-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.74
Rot. Bonds10

About 3-tridecan-3-ylideneoxiran-2-one

3-tridecan-3-ylideneoxiran-2-one (PubChem CID 140980227) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-tridecan-3-ylideneoxiran-2-one.

Molecular Properties

Compound Name3-tridecan-3-ylideneoxiran-2-one
PubChem CID140980227
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-tridecan-3-ylideneoxiran-2-one
SMILESCCCCCCCCCCC(CC)=C1OC1=O
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14-15(16)17-14/h3-12H2,1-2H3
InChIKeyWKSCWQWHTMFWRS-UHFFFAOYSA-N
XLogP4.74
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-undecan-5-ylideneoxolan-2-one
CID 100912398
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
dodecanoyl dodecanoate;sulfane
CID 174888621
ethane;octadecanoyl octadecanoate
CID 174636018
2-benzofuran-1,3-dione;octadecanoic acid
CID 88717434
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587
lithium;hydride;octadecanoyl octadecanoate
CID 173213572

Frequently Asked Questions

What is the IUPAC name of 3-tridecan-3-ylideneoxiran-2-one?
The IUPAC name of 3-tridecan-3-ylideneoxiran-2-one (CID 140980227) is 3-tridecan-3-ylideneoxiran-2-one.
What is the SMILES notation for 3-tridecan-3-ylideneoxiran-2-one?
The canonical SMILES for 3-tridecan-3-ylideneoxiran-2-one is CCCCCCCCCCC(CC)=C1OC1=O.
What is the InChIKey of 3-tridecan-3-ylideneoxiran-2-one?
The InChIKey is WKSCWQWHTMFWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14-15(16)17-14/h3-12H2,1-2H3.
What are the key properties of 3-tridecan-3-ylideneoxiran-2-one?
3-tridecan-3-ylideneoxiran-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecan-3-ylideneoxiran-2-one is sourced from PubChem (CID 140980227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).