(1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane

C11H14O — CID 1241414

IUPAC(1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane
SMILESC1[C@@H]2[C@H]3C[C@@H]4O[C@@H]5C[C@H]3[C@H]1[C@@H]5[C@H]24
InChIInChI=1S/C11H14O/c1-6-4-2-8-10(6)11-7(1)5(4)3-9(11)12-8/h4-11H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11-
InChIKeyCFOAUYKRGYUXNC-JJSSPVMXSA-N
MW162.23 g/mol
LogP1.68
Rot. Bonds

About (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane

(1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane (PubChem CID 1241414) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane.

Molecular Properties

Compound Name(1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane
PubChem CID1241414
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane
SMILESC1[C@@H]2[C@H]3C[C@@H]4O[C@@H]5C[C@H]3[C@H]1[C@@H]5[C@H]24
InChIInChI=1S/C11H14O/c1-6-4-2-8-10(6)11-7(1)5(4)3-9(11)12-8/h4-11H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11-
InChIKeyCFOAUYKRGYUXNC-JJSSPVMXSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane?
The IUPAC name of (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane (CID 1241414) is (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane.
What is the SMILES notation for (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane?
The canonical SMILES for (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane is C1[C@@H]2[C@H]3C[C@@H]4O[C@@H]5C[C@H]3[C@H]1[C@@H]5[C@H]24.
What is the InChIKey of (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane?
The InChIKey is CFOAUYKRGYUXNC-JJSSPVMXSA-N. The full InChI is InChI=1S/C11H14O/c1-6-4-2-8-10(6)11-7(1)5(4)3-9(11)12-8/h4-11H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11-.
What are the key properties of (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane?
(1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane has a molecular weight of 162.23 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S,6R,7S,8R,10R)-11-oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane is sourced from PubChem (CID 1241414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).