5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane

C11H12O — CID 2802169

IUPAC5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
SMILESC1C2C3C4OC5C3C1C1C2C4C51
InChIInChI=1S/C11H12O/c1-2-4-5-3(1)7-6(2)10-8(4)9(5)11(7)12-10/h2-11H,1H2
InChIKeyBTLTVYGUMREMCE-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.14
Rot. Bonds

About 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane

5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane (PubChem CID 2802169) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane.

Molecular Properties

Compound Name5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
PubChem CID2802169
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
SMILESC1C2C3C4OC5C3C1C1C2C4C51
InChIInChI=1S/C11H12O/c1-2-4-5-3(1)7-6(2)10-8(4)9(5)11(7)12-10/h2-11H,1H2
InChIKeyBTLTVYGUMREMCE-UHFFFAOYSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
The IUPAC name of 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane (CID 2802169) is 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane.
What is the SMILES notation for 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
The canonical SMILES for 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane is C1C2C3C4OC5C3C1C1C2C4C51.
What is the InChIKey of 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
The InChIKey is BTLTVYGUMREMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-4-5-3(1)7-6(2)10-8(4)9(5)11(7)12-10/h2-11H,1H2.
What are the key properties of 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane has a molecular weight of 160.22 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane is sourced from PubChem (CID 2802169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).