4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane

C10H12O — CID 15468117

IUPAC4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane
SMILESC1C2C3CC4C5OC(C1C35)C24
InChIInChI=1S/C10H12O/c1-3-4-2-6-7(3)9-5(1)8(4)10(6)11-9/h3-10H,1-2H2
InChIKeyOLMRXXBYAVKDFC-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.29
Rot. Bonds

About 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane

4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane (PubChem CID 15468117) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane.

Molecular Properties

Compound Name4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane
PubChem CID15468117
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane
SMILESC1C2C3CC4C5OC(C1C35)C24
InChIInChI=1S/C10H12O/c1-3-4-2-6-7(3)9-5(1)8(4)10(6)11-9/h3-10H,1-2H2
InChIKeyOLMRXXBYAVKDFC-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The IUPAC name of 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane (CID 15468117) is 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane.
What is the SMILES notation for 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The canonical SMILES for 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane is C1C2C3CC4C5OC(C1C35)C24.
What is the InChIKey of 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The InChIKey is OLMRXXBYAVKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-4-2-6-7(3)9-5(1)8(4)10(6)11-9/h3-10H,1-2H2.
What are the key properties of 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane?
4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane has a molecular weight of 148.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxapentacyclo[6.3.0.02,6.03,10.05,9]undecane is sourced from PubChem (CID 15468117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).