14-butan-2-yl-oxacyclotetradecan-2-one

C17H32O2 — CID 56936050

IUPAC14-butan-2-yl-oxacyclotetradecan-2-one
SMILESCCC(C)C1CCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H32O2/c1-3-15(2)16-13-11-9-7-5-4-6-8-10-12-14-17(18)19-16/h15-16H,3-14H2,1-2H3
InChIKeyLCSBQXXSNDOFFD-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.25
Rot. Bonds2

About 14-butan-2-yl-oxacyclotetradecan-2-one

14-butan-2-yl-oxacyclotetradecan-2-one (PubChem CID 56936050) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 14-butan-2-yl-oxacyclotetradecan-2-one.

Molecular Properties

Compound Name14-butan-2-yl-oxacyclotetradecan-2-one
PubChem CID56936050
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name14-butan-2-yl-oxacyclotetradecan-2-one
SMILESCCC(C)C1CCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H32O2/c1-3-15(2)16-13-11-9-7-5-4-6-8-10-12-14-17(18)19-16/h15-16H,3-14H2,1-2H3
InChIKeyLCSBQXXSNDOFFD-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-butan-2-yl-oxacyclotetradecan-2-one?
The IUPAC name of 14-butan-2-yl-oxacyclotetradecan-2-one (CID 56936050) is 14-butan-2-yl-oxacyclotetradecan-2-one.
What is the SMILES notation for 14-butan-2-yl-oxacyclotetradecan-2-one?
The canonical SMILES for 14-butan-2-yl-oxacyclotetradecan-2-one is CCC(C)C1CCCCCCCCCCCC(=O)O1.
What is the InChIKey of 14-butan-2-yl-oxacyclotetradecan-2-one?
The InChIKey is LCSBQXXSNDOFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-15(2)16-13-11-9-7-5-4-6-8-10-12-14-17(18)19-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 14-butan-2-yl-oxacyclotetradecan-2-one?
14-butan-2-yl-oxacyclotetradecan-2-one has a molecular weight of 268.44 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-butan-2-yl-oxacyclotetradecan-2-one is sourced from PubChem (CID 56936050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).