4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane

C10H14O2 — CID 11521145

IUPAC4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane
SMILESC1C2CC3OC3CC2CC2OC12
InChIInChI=1S/C10H14O2/c1-5-2-9-10(12-9)4-6(5)3-8-7(1)11-8/h5-10H,1-4H2
InChIKeyKRIPOLVUFSJGOR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.34
Rot. Bonds

About 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane

4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane (PubChem CID 11521145) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane.

Molecular Properties

Compound Name4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane
PubChem CID11521145
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane
SMILESC1C2CC3OC3CC2CC2OC12
InChIInChI=1S/C10H14O2/c1-5-2-9-10(12-9)4-6(5)3-8-7(1)11-8/h5-10H,1-4H2
InChIKeyKRIPOLVUFSJGOR-UHFFFAOYSA-N
XLogP1.34
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane?
The IUPAC name of 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane (CID 11521145) is 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane.
What is the SMILES notation for 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane?
The canonical SMILES for 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane is C1C2CC3OC3CC2CC2OC12.
What is the InChIKey of 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane?
The InChIKey is KRIPOLVUFSJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-2-9-10(12-9)4-6(5)3-8-7(1)11-8/h5-10H,1-4H2.
What are the key properties of 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane?
4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane has a molecular weight of 166.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dioxatetracyclo[5.5.0.03,5.09,11]dodecane is sourced from PubChem (CID 11521145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).