5-oxatetracyclo[4.2.1.11,3.03,7]decane

C9H12O — CID 123996740

IUPAC5-oxatetracyclo[4.2.1.11,3.03,7]decane
SMILESC1C2OCC34CC1(CC23)C4
InChIInChI=1S/C9H12O/c1-6-7-2-8(1)3-9(6,4-8)5-10-7/h6-7H,1-5H2
InChIKeyBRHCEUOEJHYZIE-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.58
Rot. Bonds

About 5-oxatetracyclo[4.2.1.11,3.03,7]decane

5-oxatetracyclo[4.2.1.11,3.03,7]decane (PubChem CID 123996740) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-oxatetracyclo[4.2.1.11,3.03,7]decane.

Molecular Properties

Compound Name5-oxatetracyclo[4.2.1.11,3.03,7]decane
PubChem CID123996740
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-oxatetracyclo[4.2.1.11,3.03,7]decane
SMILESC1C2OCC34CC1(CC23)C4
InChIInChI=1S/C9H12O/c1-6-7-2-8(1)3-9(6,4-8)5-10-7/h6-7H,1-5H2
InChIKeyBRHCEUOEJHYZIE-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-oxatetracyclo[4.2.1.11,3.03,7]decane?
The IUPAC name of 5-oxatetracyclo[4.2.1.11,3.03,7]decane (CID 123996740) is 5-oxatetracyclo[4.2.1.11,3.03,7]decane.
What is the SMILES notation for 5-oxatetracyclo[4.2.1.11,3.03,7]decane?
The canonical SMILES for 5-oxatetracyclo[4.2.1.11,3.03,7]decane is C1C2OCC34CC1(CC23)C4.
What is the InChIKey of 5-oxatetracyclo[4.2.1.11,3.03,7]decane?
The InChIKey is BRHCEUOEJHYZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-6-7-2-8(1)3-9(6,4-8)5-10-7/h6-7H,1-5H2.
What are the key properties of 5-oxatetracyclo[4.2.1.11,3.03,7]decane?
5-oxatetracyclo[4.2.1.11,3.03,7]decane has a molecular weight of 136.19 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxatetracyclo[4.2.1.11,3.03,7]decane is sourced from PubChem (CID 123996740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).