(15S)-15-methyl-oxacyclopentadecan-2-one

C15H28O2 — CID 86278289

IUPAC(15S)-15-methyl-oxacyclopentadecan-2-one
SMILESC[C@H]1CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C15H28O2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(16)17-14/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyLVECZGHBXXYWBO-AWEZNQCLSA-N
MW240.39 g/mol
LogP4.61
Rot. Bonds

About (15S)-15-methyl-oxacyclopentadecan-2-one

(15S)-15-methyl-oxacyclopentadecan-2-one (PubChem CID 86278289) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (15S)-15-methyl-oxacyclopentadecan-2-one.

Molecular Properties

Compound Name(15S)-15-methyl-oxacyclopentadecan-2-one
PubChem CID86278289
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(15S)-15-methyl-oxacyclopentadecan-2-one
SMILESC[C@H]1CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C15H28O2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(16)17-14/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyLVECZGHBXXYWBO-AWEZNQCLSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (15S)-15-methyl-oxacyclopentadecan-2-one?
The IUPAC name of (15S)-15-methyl-oxacyclopentadecan-2-one (CID 86278289) is (15S)-15-methyl-oxacyclopentadecan-2-one.
What is the SMILES notation for (15S)-15-methyl-oxacyclopentadecan-2-one?
The canonical SMILES for (15S)-15-methyl-oxacyclopentadecan-2-one is C[C@H]1CCCCCCCCCCCCC(=O)O1.
What is the InChIKey of (15S)-15-methyl-oxacyclopentadecan-2-one?
The InChIKey is LVECZGHBXXYWBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28O2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(16)17-14/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of (15S)-15-methyl-oxacyclopentadecan-2-one?
(15S)-15-methyl-oxacyclopentadecan-2-one has a molecular weight of 240.39 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-15-methyl-oxacyclopentadecan-2-one is sourced from PubChem (CID 86278289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).