14-propan-2-yl-oxacyclohexadecan-2-one

C18H34O2 — CID 123475189

IUPAC14-propan-2-yl-oxacyclohexadecan-2-one
SMILESCC(C)C1CCCCCCCCCCCC(=O)OCC1
InChIInChI=1S/C18H34O2/c1-16(2)17-12-10-8-6-4-3-5-7-9-11-13-18(19)20-15-14-17/h16-17H,3-15H2,1-2H3
InChIKeyYKQJRJJBVMQXGI-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.50
Rot. Bonds1

About 14-propan-2-yl-oxacyclohexadecan-2-one

14-propan-2-yl-oxacyclohexadecan-2-one (PubChem CID 123475189) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 14-propan-2-yl-oxacyclohexadecan-2-one.

Molecular Properties

Compound Name14-propan-2-yl-oxacyclohexadecan-2-one
PubChem CID123475189
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name14-propan-2-yl-oxacyclohexadecan-2-one
SMILESCC(C)C1CCCCCCCCCCCC(=O)OCC1
InChIInChI=1S/C18H34O2/c1-16(2)17-12-10-8-6-4-3-5-7-9-11-13-18(19)20-15-14-17/h16-17H,3-15H2,1-2H3
InChIKeyYKQJRJJBVMQXGI-UHFFFAOYSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-propan-2-yl-oxacyclohexadecan-2-one?
The IUPAC name of 14-propan-2-yl-oxacyclohexadecan-2-one (CID 123475189) is 14-propan-2-yl-oxacyclohexadecan-2-one.
What is the SMILES notation for 14-propan-2-yl-oxacyclohexadecan-2-one?
The canonical SMILES for 14-propan-2-yl-oxacyclohexadecan-2-one is CC(C)C1CCCCCCCCCCCC(=O)OCC1.
What is the InChIKey of 14-propan-2-yl-oxacyclohexadecan-2-one?
The InChIKey is YKQJRJJBVMQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-16(2)17-12-10-8-6-4-3-5-7-9-11-13-18(19)20-15-14-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 14-propan-2-yl-oxacyclohexadecan-2-one?
14-propan-2-yl-oxacyclohexadecan-2-one has a molecular weight of 282.47 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-propan-2-yl-oxacyclohexadecan-2-one is sourced from PubChem (CID 123475189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).