10-oxabicyclo[5.2.1]decane

C9H16O — CID 118210101

IUPAC10-oxabicyclo[5.2.1]decane
SMILESC1CCC2CCC(CC1)O2
InChIInChI=1S/C9H16O/c1-2-4-8-6-7-9(10-8)5-3-1/h8-9H,1-7H2
InChIKeyJPSVXKDRMNPBKB-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.50
Rot. Bonds

About 10-oxabicyclo[5.2.1]decane

10-oxabicyclo[5.2.1]decane (PubChem CID 118210101) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 10-oxabicyclo[5.2.1]decane.

Molecular Properties

Compound Name10-oxabicyclo[5.2.1]decane
PubChem CID118210101
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name10-oxabicyclo[5.2.1]decane
SMILESC1CCC2CCC(CC1)O2
InChIInChI=1S/C9H16O/c1-2-4-8-6-7-9(10-8)5-3-1/h8-9H,1-7H2
InChIKeyJPSVXKDRMNPBKB-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-oxabicyclo[5.2.1]decane?
The IUPAC name of 10-oxabicyclo[5.2.1]decane (CID 118210101) is 10-oxabicyclo[5.2.1]decane.
What is the SMILES notation for 10-oxabicyclo[5.2.1]decane?
The canonical SMILES for 10-oxabicyclo[5.2.1]decane is C1CCC2CCC(CC1)O2.
What is the InChIKey of 10-oxabicyclo[5.2.1]decane?
The InChIKey is JPSVXKDRMNPBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-4-8-6-7-9(10-8)5-3-1/h8-9H,1-7H2.
What are the key properties of 10-oxabicyclo[5.2.1]decane?
10-oxabicyclo[5.2.1]decane has a molecular weight of 140.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxabicyclo[5.2.1]decane is sourced from PubChem (CID 118210101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).