(2-oxo-oxacycloheptadec-7-yl) acetate

C18H32O4 — CID 54004174

IUPAC(2-oxo-oxacycloheptadec-7-yl) acetate
SMILESCC(=O)OC1CCCCCCCCCCOC(=O)CCCC1
InChIInChI=1S/C18H32O4/c1-16(19)22-17-12-8-6-4-2-3-5-7-11-15-21-18(20)14-10-9-13-17/h17H,2-15H2,1H3
InChIKeyKNRDXSYJLWOLBF-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.55
Rot. Bonds1

About (2-oxo-oxacycloheptadec-7-yl) acetate

(2-oxo-oxacycloheptadec-7-yl) acetate (PubChem CID 54004174) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (2-oxo-oxacycloheptadec-7-yl) acetate.

Molecular Properties

Compound Name(2-oxo-oxacycloheptadec-7-yl) acetate
PubChem CID54004174
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(2-oxo-oxacycloheptadec-7-yl) acetate
SMILESCC(=O)OC1CCCCCCCCCCOC(=O)CCCC1
InChIInChI=1S/C18H32O4/c1-16(19)22-17-12-8-6-4-2-3-5-7-11-15-21-18(20)14-10-9-13-17/h17H,2-15H2,1H3
InChIKeyKNRDXSYJLWOLBF-UHFFFAOYSA-N
XLogP4.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-oxacycloheptadec-7-yl) acetate?
The IUPAC name of (2-oxo-oxacycloheptadec-7-yl) acetate (CID 54004174) is (2-oxo-oxacycloheptadec-7-yl) acetate.
What is the SMILES notation for (2-oxo-oxacycloheptadec-7-yl) acetate?
The canonical SMILES for (2-oxo-oxacycloheptadec-7-yl) acetate is CC(=O)OC1CCCCCCCCCCOC(=O)CCCC1.
What is the InChIKey of (2-oxo-oxacycloheptadec-7-yl) acetate?
The InChIKey is KNRDXSYJLWOLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-16(19)22-17-12-8-6-4-2-3-5-7-11-15-21-18(20)14-10-9-13-17/h17H,2-15H2,1H3.
What are the key properties of (2-oxo-oxacycloheptadec-7-yl) acetate?
(2-oxo-oxacycloheptadec-7-yl) acetate has a molecular weight of 312.45 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-oxacycloheptadec-7-yl) acetate is sourced from PubChem (CID 54004174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).