oxacycloheptadecane

C16H32O — CID 22011753

IUPACoxacycloheptadecane
SMILESC1CCCCCCCCOCCCCCCC1
InChIInChI=1S/C16H32O/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h1-16H2
InChIKeyCUAZAEOFOKHUPC-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.48
Rot. Bonds

About oxacycloheptadecane

oxacycloheptadecane (PubChem CID 22011753) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is oxacycloheptadecane.

Molecular Properties

Compound Nameoxacycloheptadecane
PubChem CID22011753
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Nameoxacycloheptadecane
SMILESC1CCCCCCCCOCCCCCCC1
InChIInChI=1S/C16H32O/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h1-16H2
InChIKeyCUAZAEOFOKHUPC-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
cyclohexane;oxane
CID 20574508
1,4,7-trioxacyclotridecane
CID 118017817
oxacyclotetradecane;dihydrate
CID 173194889
λ2-plumbane;oxane
CID 173444965
oxane;selane
CID 173094887
oxane dichloride
CID 19601825
oxane;zinc
CID 66716277

Frequently Asked Questions

What is the IUPAC name of oxacycloheptadecane?
The IUPAC name of oxacycloheptadecane (CID 22011753) is oxacycloheptadecane.
What is the SMILES notation for oxacycloheptadecane?
The canonical SMILES for oxacycloheptadecane is C1CCCCCCCCOCCCCCCC1.
What is the InChIKey of oxacycloheptadecane?
The InChIKey is CUAZAEOFOKHUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h1-16H2.
What are the key properties of oxacycloheptadecane?
oxacycloheptadecane has a molecular weight of 240.43 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxacycloheptadecane is sourced from PubChem (CID 22011753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).