(3E)-3-decylidene-5-methyloxolan-2-one

C15H26O2 — CID 20749513

IUPAC(3E)-3-decylidene-5-methyloxolan-2-one
SMILESCCCCCCCCC/C=C1\CC(C)OC1=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-14-12-13(2)17-15(14)16/h11,13H,3-10,12H2,1-2H3/b14-11+
InChIKeyTUXWUKLVKDZOCT-SDNWHVSQSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds8

About (3E)-3-decylidene-5-methyloxolan-2-one

(3E)-3-decylidene-5-methyloxolan-2-one (PubChem CID 20749513) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3E)-3-decylidene-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3E)-3-decylidene-5-methyloxolan-2-one
PubChem CID20749513
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3E)-3-decylidene-5-methyloxolan-2-one
SMILESCCCCCCCCC/C=C1\CC(C)OC1=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-14-12-13(2)17-15(14)16/h11,13H,3-10,12H2,1-2H3/b14-11+
InChIKeyTUXWUKLVKDZOCT-SDNWHVSQSA-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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-decylidene-5-methyloxolan-2-one?
The IUPAC name of (3E)-3-decylidene-5-methyloxolan-2-one (CID 20749513) is (3E)-3-decylidene-5-methyloxolan-2-one.
What is the SMILES notation for (3E)-3-decylidene-5-methyloxolan-2-one?
The canonical SMILES for (3E)-3-decylidene-5-methyloxolan-2-one is CCCCCCCCC/C=C1\CC(C)OC1=O.
What is the InChIKey of (3E)-3-decylidene-5-methyloxolan-2-one?
The InChIKey is TUXWUKLVKDZOCT-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-14-12-13(2)17-15(14)16/h11,13H,3-10,12H2,1-2H3/b14-11+.
What are the key properties of (3E)-3-decylidene-5-methyloxolan-2-one?
(3E)-3-decylidene-5-methyloxolan-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-decylidene-5-methyloxolan-2-one is sourced from PubChem (CID 20749513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).