5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane

C12H18O3 — CID 19033201

IUPAC5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane
SMILESC1CC2OC2CCC2OC2CCC2OC12
InChIInChI=1S/C12H18O3/c1-2-8-10(14-8)5-6-12-11(15-12)4-3-9-7(1)13-9/h7-12H,1-6H2
InChIKeyLAJBOJDPFNWUQQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.64
Rot. Bonds

About 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane

5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane (PubChem CID 19033201) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane.

Molecular Properties

Compound Name5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane
PubChem CID19033201
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane
SMILESC1CC2OC2CCC2OC2CCC2OC12
InChIInChI=1S/C12H18O3/c1-2-8-10(14-8)5-6-12-11(15-12)4-3-9-7(1)13-9/h7-12H,1-6H2
InChIKeyLAJBOJDPFNWUQQ-UHFFFAOYSA-N
XLogP1.64
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane?
The IUPAC name of 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane (CID 19033201) is 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane.
What is the SMILES notation for 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane?
The canonical SMILES for 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane is C1CC2OC2CCC2OC2CCC2OC12.
What is the InChIKey of 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane?
The InChIKey is LAJBOJDPFNWUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-8-10(14-8)5-6-12-11(15-12)4-3-9-7(1)13-9/h7-12H,1-6H2.
What are the key properties of 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane?
5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane has a molecular weight of 210.27 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-trioxatetracyclo[12.1.0.04,6.09,11]pentadecane is sourced from PubChem (CID 19033201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).