14-methyl-oxacyclotetradecan-2-one

C14H26O2 — CID 543405

IUPAC14-methyl-oxacyclotetradecan-2-one
SMILESCC1CCCCCCCCCCCC(=O)O1
InChIInChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3
InChIKeyFGDBANZBXSVCEG-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.22
Rot. Bonds

About 14-methyl-oxacyclotetradecan-2-one

14-methyl-oxacyclotetradecan-2-one (PubChem CID 543405) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 14-methyl-oxacyclotetradecan-2-one.

Molecular Properties

Compound Name14-methyl-oxacyclotetradecan-2-one
PubChem CID543405
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name14-methyl-oxacyclotetradecan-2-one
SMILESCC1CCCCCCCCCCCC(=O)O1
InChIInChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3
InChIKeyFGDBANZBXSVCEG-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-oxacyclotetradecan-2-one?
The IUPAC name of 14-methyl-oxacyclotetradecan-2-one (CID 543405) is 14-methyl-oxacyclotetradecan-2-one.
What is the SMILES notation for 14-methyl-oxacyclotetradecan-2-one?
The canonical SMILES for 14-methyl-oxacyclotetradecan-2-one is CC1CCCCCCCCCCCC(=O)O1.
What is the InChIKey of 14-methyl-oxacyclotetradecan-2-one?
The InChIKey is FGDBANZBXSVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3.
What are the key properties of 14-methyl-oxacyclotetradecan-2-one?
14-methyl-oxacyclotetradecan-2-one has a molecular weight of 226.36 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-oxacyclotetradecan-2-one is sourced from PubChem (CID 543405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).