(10E)-13-methyl-1-oxacyclopentadec-10-en-2-one

C15H26O2 — CID 56842685

IUPAC(10E)-13-methyl-1-oxacyclopentadec-10-en-2-one
SMILESCC1C/C=C/CCCCCCCC(=O)OCC1
InChIInChI=1S/C15H26O2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)17-13-12-14/h6,8,14H,2-5,7,9-13H2,1H3/b8-6+
InChIKeyNUSRNVWNTPMBJA-SOFGYWHQSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds

About (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one

(10E)-13-methyl-1-oxacyclopentadec-10-en-2-one (PubChem CID 56842685) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one.

Molecular Properties

Compound Name(10E)-13-methyl-1-oxacyclopentadec-10-en-2-one
PubChem CID56842685
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(10E)-13-methyl-1-oxacyclopentadec-10-en-2-one
SMILESCC1C/C=C/CCCCCCCC(=O)OCC1
InChIInChI=1S/C15H26O2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)17-13-12-14/h6,8,14H,2-5,7,9-13H2,1H3/b8-6+
InChIKeyNUSRNVWNTPMBJA-SOFGYWHQSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one?
The IUPAC name of (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one (CID 56842685) is (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one.
What is the SMILES notation for (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one?
The canonical SMILES for (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one is CC1C/C=C/CCCCCCCC(=O)OCC1.
What is the InChIKey of (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one?
The InChIKey is NUSRNVWNTPMBJA-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H26O2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)17-13-12-14/h6,8,14H,2-5,7,9-13H2,1H3/b8-6+.
What are the key properties of (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one?
(10E)-13-methyl-1-oxacyclopentadec-10-en-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-13-methyl-1-oxacyclopentadec-10-en-2-one is sourced from PubChem (CID 56842685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).