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

C19H32O2 — CID 142056536

IUPACpropane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
SMILESCC1(C)C=C2CCC3(CC2=C1)OCC(C)(C)CO3.CCC
InChIInChI=1S/C16H24O2.C3H8/c1-14(2)7-12-5-6-16(9-13(12)8-14)17-10-15(3,4)11-18-16;1-3-2/h7-8H,5-6,9-11H2,1-4H3;3H2,1-2H3
InChIKeyUGOJTWKOFAQUMT-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.25
Rot. Bonds

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

propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] (PubChem CID 142056536) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene].

Molecular Properties

Compound Namepropane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
PubChem CID142056536
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Namepropane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
SMILESCC1(C)C=C2CCC3(CC2=C1)OCC(C)(C)CO3.CCC
InChIInChI=1S/C16H24O2.C3H8/c1-14(2)7-12-5-6-16(9-13(12)8-14)17-10-15(3,4)11-18-16;1-3-2/h7-8H,5-6,9-11H2,1-4H3;3H2,1-2H3
InChIKeyUGOJTWKOFAQUMT-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] with MolForge

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Related Compounds

CID 11069704
CID 11069704
9-Ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
CID 21305154
8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene
CID 11069705
2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
CID 142056537

Frequently Asked Questions

What is the IUPAC name of propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
The IUPAC name of propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] (CID 142056536) is propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene].
What is the SMILES notation for propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
The canonical SMILES for propane;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.CCC.
What is the InChIKey of propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
The InChIKey is UGOJTWKOFAQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.C3H8/c1-14(2)7-12-5-6-16(9-13(12)8-14)17-10-15(3,4)11-18-16;1-3-2/h7-8H,5-6,9-11H2,1-4H3;3H2,1-2H3.
What are the key properties of propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]?
propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] has a molecular weight of 292.46 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene] is sourced from PubChem (CID 142056536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).