1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane

C12H20O3 — CID 100952466

IUPAC1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane
SMILESCC(C)C1OC12CCC1(CC2)OCCO1
InChIInChI=1S/C12H20O3/c1-9(2)10-11(15-10)3-5-12(6-4-11)13-7-8-14-12/h9-10H,3-8H2,1-2H3
InChIKeyWWUBQTFKYDFECD-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.10
Rot. Bonds1

About 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane

1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane (PubChem CID 100952466) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane.

Molecular Properties

Compound Name1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane
PubChem CID100952466
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane
SMILESCC(C)C1OC12CCC1(CC2)OCCO1
InChIInChI=1S/C12H20O3/c1-9(2)10-11(15-10)3-5-12(6-4-11)13-7-8-14-12/h9-10H,3-8H2,1-2H3
InChIKeyWWUBQTFKYDFECD-UHFFFAOYSA-N
XLogP2.10
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.10
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 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane?
The IUPAC name of 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane (CID 100952466) is 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane.
What is the SMILES notation for 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane?
The canonical SMILES for 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane is CC(C)C1OC12CCC1(CC2)OCCO1.
What is the InChIKey of 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane?
The InChIKey is WWUBQTFKYDFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(2)10-11(15-10)3-5-12(6-4-11)13-7-8-14-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane?
1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane has a molecular weight of 212.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane is sourced from PubChem (CID 100952466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).