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

C15H26O2 — CID 90476022

IUPAC(3E)-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-BUHFOSPRSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds8

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

(3E)-3-undecan-5-ylideneoxolan-2-one (PubChem CID 90476022) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3E)-3-undecan-5-ylideneoxolan-2-one.

Molecular Properties

Compound Name(3E)-3-undecan-5-ylideneoxolan-2-one
PubChem CID90476022
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3E)-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-BUHFOSPRSA-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

Dihydrobovolide, (+-)-
CID 13192443
Pestalolide
CID 57342266
Ethyl 2,3-dimethyl-2-nonenoate
CID 6372197
2-butyl-3,4-dimethyl-2H-furan-5-one
CID 67873447
Dihydrobovolide, (R)-
CID 11788657
Dihydrobovolide, (S)-
CID 12050368
2-Isopropylidene-gamma-butyrolactone
CID 11423596
(3E)-3-pentylidene-tetrahydro-furan-2-one
CID 12320132
3-Cyclohexylideneoxolan-2-one
CID 12403254
(3E)-3-decylidene-5-methyloxolan-2-one
CID 20749513
(3Z)-3-decylidene-5-methyloxolan-2-one
CID 59978759
(3E)-3-hexylideneoxolan-2-one
CID 12427389

Frequently Asked Questions

What is the IUPAC name of (3E)-3-undecan-5-ylideneoxolan-2-one?
The IUPAC name of (3E)-3-undecan-5-ylideneoxolan-2-one (CID 90476022) is (3E)-3-undecan-5-ylideneoxolan-2-one.
What is the SMILES notation for (3E)-3-undecan-5-ylideneoxolan-2-one?
The canonical SMILES for (3E)-3-undecan-5-ylideneoxolan-2-one is CCCCCC/C(CCCC)=C1\CCOC1=O.
What is the InChIKey of (3E)-3-undecan-5-ylideneoxolan-2-one?
The InChIKey is ZAIGXBHPYFYBRM-BUHFOSPRSA-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 (3E)-3-undecan-5-ylideneoxolan-2-one?
(3E)-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 (3E)-3-undecan-5-ylideneoxolan-2-one is sourced from PubChem (CID 90476022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).