11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane

C11H14O — CID 15468109

IUPAC11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane
SMILESC1OC2C3CC4C5CC(C1C53)C42
InChIInChI=1S/C11H14O/c1-4-5-2-7-9(4)8-3-12-11(7)10(5)6(1)8/h4-11H,1-3H2
InChIKeyCAFYPVLDEXRMSF-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.53
Rot. Bonds

About 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane

11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane (PubChem CID 15468109) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane.

Molecular Properties

Compound Name11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane
PubChem CID15468109
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane
SMILESC1OC2C3CC4C5CC(C1C53)C42
InChIInChI=1S/C11H14O/c1-4-5-2-7-9(4)8-3-12-11(7)10(5)6(1)8/h4-11H,1-3H2
InChIKeyCAFYPVLDEXRMSF-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane?
The IUPAC name of 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane (CID 15468109) is 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane.
What is the SMILES notation for 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane?
The canonical SMILES for 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane is C1OC2C3CC4C5CC(C1C53)C42.
What is the InChIKey of 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane?
The InChIKey is CAFYPVLDEXRMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-4-5-2-7-9(4)8-3-12-11(7)10(5)6(1)8/h4-11H,1-3H2.
What are the key properties of 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane?
11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane has a molecular weight of 162.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane is sourced from PubChem (CID 15468109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).