2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]

C16H24O2 — CID 142056537

IUPAC2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
SMILESCC1(C)C=C2CCC3(CC2=C1)OCC(C)(C)CO3
InChIInChI=1S/C16H24O2/c1-14(2)7-12-5-6-16(9-13(12)8-14)17-10-15(3,4)11-18-16/h7-8H,5-6,9-11H2,1-4H3
InChIKeyKBSZTCAWJXMYAQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.83
Rot. Bonds

About 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]

2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] (PubChem CID 142056537) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene].

Molecular Properties

Compound Name2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
PubChem CID142056537
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
SMILESCC1(C)C=C2CCC3(CC2=C1)OCC(C)(C)CO3
InChIInChI=1S/C16H24O2/c1-14(2)7-12-5-6-16(9-13(12)8-14)17-10-15(3,4)11-18-16/h7-8H,5-6,9-11H2,1-4H3
InChIKeyKBSZTCAWJXMYAQ-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
The IUPAC name of 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] (CID 142056537) is 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene].
What is the SMILES notation for 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
The canonical SMILES for 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] is CC1(C)C=C2CCC3(CC2=C1)OCC(C)(C)CO3.
What is the InChIKey of 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
The InChIKey is KBSZTCAWJXMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-14(2)7-12-5-6-16(9-13(12)8-14)17-10-15(3,4)11-18-16/h7-8H,5-6,9-11H2,1-4H3.
What are the key properties of 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] has a molecular weight of 248.37 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] is sourced from PubChem (CID 142056537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).