8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane

C21H32O2 — CID 59692125

IUPAC8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)c1cccc(C2(C(C)(C)C)CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H32O2/c1-16(2)17-7-6-8-18(15-17)20(19(3,4)5)9-11-21(12-10-20)22-13-14-23-21/h6-8,15-16H,9-14H2,1-5H3
InChIKeyADFDJJQMNUNIQA-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.41
Rot. Bonds2

About 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane

8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 59692125) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID59692125
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)c1cccc(C2(C(C)(C)C)CCC3(CC2)OCCO3)c1
InChIInChI=1S/C21H32O2/c1-16(2)17-7-6-8-18(15-17)20(19(3,4)5)9-11-21(12-10-20)22-13-14-23-21/h6-8,15-16H,9-14H2,1-5H3
InChIKeyADFDJJQMNUNIQA-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane (CID 59692125) is 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane is CC(C)c1cccc(C2(C(C)(C)C)CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is ADFDJJQMNUNIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2/c1-16(2)17-7-6-8-18(15-17)20(19(3,4)5)9-11-21(12-10-20)22-13-14-23-21/h6-8,15-16H,9-14H2,1-5H3.
What are the key properties of 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane?
8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 316.49 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 59692125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).