(3Z)-3-undecan-5-ylideneoxolan-2-one

C15H26O2 — CID 100912398

IUPAC(3Z)-3-undecan-5-ylideneoxolan-2-one
SMILESCCCCCC/C(CCCC)=C1/CCOC1=O
InChIInChI=1S/C15H26O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-17-15(14)16/h3-12H2,1-2H3/b14-13-
InChIKeyZAIGXBHPYFYBRM-YPKPFQOOSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds8

About (3Z)-3-undecan-5-ylideneoxolan-2-one

(3Z)-3-undecan-5-ylideneoxolan-2-one (PubChem CID 100912398) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3Z)-3-undecan-5-ylideneoxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-undecan-5-ylideneoxolan-2-one
PubChem CID100912398
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3Z)-3-undecan-5-ylideneoxolan-2-one
SMILESCCCCCC/C(CCCC)=C1/CCOC1=O
InChIInChI=1S/C15H26O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-17-15(14)16/h3-12H2,1-2H3/b14-13-
InChIKeyZAIGXBHPYFYBRM-YPKPFQOOSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.39
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'}

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Related Compounds

bis((1E)-1-(2-oxooxolan-3-ylidene)ethanolate);bis(tetrabutylazanium)
CID 139057777
dodecan-5-ylidenecyclopropane
CID 134896338
3-tridecan-3-ylideneoxiran-2-one
CID 140980227
4-butyl-5-hydroxy-2,3-dihydropyran-6-one
CID 71321621
(3Z)-3-decylideneoxolan-2-one
CID 13315995
1,3-dioxolan-2-one;heptane
CID 174901470
(1-oxo-3,4-dihydroisochromen-5-yl)methyl octanoate
CID 118726463
4,4-dimethyl-3-nonan-5-ylideneoxolan-2-one
CID 12701203
1,3-dioxolan-2-one;heptan-2-one
CID 160775913
(3Z)-3-(1-hydroxytetradecylidene)oxolane-2,4-dione
CID 86276225
cyclobutanone;undecanoic acid
CID 53445946
3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one
CID 71424672

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-undecan-5-ylideneoxolan-2-one?
The IUPAC name of (3Z)-3-undecan-5-ylideneoxolan-2-one (CID 100912398) is (3Z)-3-undecan-5-ylideneoxolan-2-one.
What is the SMILES notation for (3Z)-3-undecan-5-ylideneoxolan-2-one?
The canonical SMILES for (3Z)-3-undecan-5-ylideneoxolan-2-one is CCCCCC/C(CCCC)=C1/CCOC1=O.
What is the InChIKey of (3Z)-3-undecan-5-ylideneoxolan-2-one?
The InChIKey is ZAIGXBHPYFYBRM-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-17-15(14)16/h3-12H2,1-2H3/b14-13-.
What are the key properties of (3Z)-3-undecan-5-ylideneoxolan-2-one?
(3Z)-3-undecan-5-ylideneoxolan-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-undecan-5-ylideneoxolan-2-one is sourced from PubChem (CID 100912398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).