7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C16H24O3 — CID 166449292

IUPAC7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)OCCO2
InChIInChI=1S/C16H24O3/c1-14(2,3)11-9-16(18-7-8-19-16)10-12(13(11)17)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeySEAXANPOPNQVIT-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.26
Rot. Bonds

About 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 166449292) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID166449292
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)OCCO2
InChIInChI=1S/C16H24O3/c1-14(2,3)11-9-16(18-7-8-19-16)10-12(13(11)17)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeySEAXANPOPNQVIT-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 166449292) is 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)OCCO2.
What is the InChIKey of 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is SEAXANPOPNQVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-14(2,3)11-9-16(18-7-8-19-16)10-12(13(11)17)15(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 264.36 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 166449292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).