(3Z,5R)-3-decylidene-5-methyloxolan-2-one

C15H26O2 — CID 124636115

IUPAC(3Z,5R)-3-decylidene-5-methyloxolan-2-one
SMILESCCCCCCCCC/C=C1/C[C@@H](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-/t13-/m1/s1
InChIKeyTUXWUKLVKDZOCT-KECPUOCWSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds8

About (3Z,5R)-3-decylidene-5-methyloxolan-2-one

(3Z,5R)-3-decylidene-5-methyloxolan-2-one (PubChem CID 124636115) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3Z,5R)-3-decylidene-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3Z,5R)-3-decylidene-5-methyloxolan-2-one
PubChem CID124636115
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3Z,5R)-3-decylidene-5-methyloxolan-2-one
SMILESCCCCCCCCC/C=C1/C[C@@H](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-/t13-/m1/s1
InChIKeyTUXWUKLVKDZOCT-KECPUOCWSA-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'}

Analyze (3Z,5R)-3-decylidene-5-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5S)-3-hexylidene-5-methyloxolan-2-one
CID 58599698
(3Z)-3-ethylidene-5-methyloxolan-2-one;nonane
CID 143453899
3-butylidene-5-methyloxolan-2-one;3-ethylidene-5-methyloxolan-2-one
CID 160933058
(3E)-5-methyl-3-propylideneoxolan-2-one
CID 10820611
(3Z)-5-methyl-3-[(octylamino)methylidene]oxolan-2-one
CID 135229679
heptane;5-methyl-3-methylideneoxolan-2-one
CID 143320585
3-octylideneoxolane-2,5-dione
CID 90776314
(3Z)-3-decylideneoxolan-2-one
CID 13315995
3-hexylideneoxolane-2,5-dione
CID 153403975
[(1S)-2-hydroxy-1-[(2S,4Z)-4-nonylidene-5-oxooxolan-2-yl]ethyl] nonanoate
CID 10525642
(3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one
CID 143150363
3-dodecylidene-4-hydroxy-5-methyloxolan-2-one
CID 78381803

Frequently Asked Questions

What is the IUPAC name of (3Z,5R)-3-decylidene-5-methyloxolan-2-one?
The IUPAC name of (3Z,5R)-3-decylidene-5-methyloxolan-2-one (CID 124636115) is (3Z,5R)-3-decylidene-5-methyloxolan-2-one.
What is the SMILES notation for (3Z,5R)-3-decylidene-5-methyloxolan-2-one?
The canonical SMILES for (3Z,5R)-3-decylidene-5-methyloxolan-2-one is CCCCCCCCC/C=C1/C[C@@H](C)OC1=O.
What is the InChIKey of (3Z,5R)-3-decylidene-5-methyloxolan-2-one?
The InChIKey is TUXWUKLVKDZOCT-KECPUOCWSA-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-/t13-/m1/s1.
What are the key properties of (3Z,5R)-3-decylidene-5-methyloxolan-2-one?
(3Z,5R)-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 (3Z,5R)-3-decylidene-5-methyloxolan-2-one is sourced from PubChem (CID 124636115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).