(3R)-3-methyl-3-pentadecyloxiran-2-one

C18H34O2 — CID 140973350

IUPAC(3R)-3-methyl-3-pentadecyloxiran-2-one
SMILESCCCCCCCCCCCCCCC[C@@]1(C)OC1=O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17(19)20-18/h3-16H2,1-2H3/t18-/m1/s1
InChIKeyASLYHVINGVJPOL-GOSISDBHSA-N
MW282.47 g/mol
LogP5.78
Rot. Bonds14

About (3R)-3-methyl-3-pentadecyloxiran-2-one

(3R)-3-methyl-3-pentadecyloxiran-2-one (PubChem CID 140973350) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (3R)-3-methyl-3-pentadecyloxiran-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-pentadecyloxiran-2-one
PubChem CID140973350
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(3R)-3-methyl-3-pentadecyloxiran-2-one
SMILESCCCCCCCCCCCCCCC[C@@]1(C)OC1=O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17(19)20-18/h3-16H2,1-2H3/t18-/m1/s1
InChIKeyASLYHVINGVJPOL-GOSISDBHSA-N
XLogP5.78
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
sodium 5-hexyl-5-methyl-4-oxo-1,3-oxazol-2-olate
CID 23686616
2,2,5-trimethyl-5-pentyl-1,3-dioxane-4,6-dione
CID 129229049
(5R)-3,4,5-trimethyl-5-pentylfuran-2-one
CID 102465810
5,5-diheptyl-4,4-dimethyloxolan-2-one
CID 10781290
3-decyl-3-methyl-2-benzofuran-1-one
CID 139663911
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
5-(2-hydroxyethyl)-2-methyl-2-tetradecylfuran-3-one
CID 139585859
2-dodecyl-5-(2-methoxyethyl)-2-methylfuran-3-one
CID 56590259
5-hexyl-3,5-dimethylfuran-2-one
CID 11106283
2-methyl-5-methylidene-2-pentyl-1,3-dioxane-4,6-dione
CID 139694646
4-hydroxy-4-pentyl-1,3-dioxetan-2-one
CID 142638506

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-pentadecyloxiran-2-one?
The IUPAC name of (3R)-3-methyl-3-pentadecyloxiran-2-one (CID 140973350) is (3R)-3-methyl-3-pentadecyloxiran-2-one.
What is the SMILES notation for (3R)-3-methyl-3-pentadecyloxiran-2-one?
The canonical SMILES for (3R)-3-methyl-3-pentadecyloxiran-2-one is CCCCCCCCCCCCCCC[C@@]1(C)OC1=O.
What is the InChIKey of (3R)-3-methyl-3-pentadecyloxiran-2-one?
The InChIKey is ASLYHVINGVJPOL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17(19)20-18/h3-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-3-methyl-3-pentadecyloxiran-2-one?
(3R)-3-methyl-3-pentadecyloxiran-2-one has a molecular weight of 282.47 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-pentadecyloxiran-2-one is sourced from PubChem (CID 140973350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).