2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one

C13H20O4 — CID 14715020

IUPAC2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC(C)OC1=C(C(C)(C)C)C(=O)C12OCCO2
InChIInChI=1S/C13H20O4/c1-8(2)17-11-9(12(3,4)5)10(14)13(11)15-6-7-16-13/h8H,6-7H2,1-5H3
InChIKeyURMVEDOBNQWFBM-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.04
Rot. Bonds2

About 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one

2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14715020) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14715020
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC(C)OC1=C(C(C)(C)C)C(=O)C12OCCO2
InChIInChI=1S/C13H20O4/c1-8(2)17-11-9(12(3,4)5)10(14)13(11)15-6-7-16-13/h8H,6-7H2,1-5H3
InChIKeyURMVEDOBNQWFBM-UHFFFAOYSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-Methyl-3-[(propan-2-yl)oxy]-5,8-dioxaspiro[3.4]oct-2-en-1-one
CID 14715018
2-Tert-butyl-4-methoxy-4-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 11138844
2-Tert-butyl-3,4,4-trimethoxycyclobut-2-en-1-one
CID 11148585
2-Butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715019

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14715020) is 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one is CC(C)OC1=C(C(C)(C)C)C(=O)C12OCCO2.
What is the InChIKey of 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is URMVEDOBNQWFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)17-11-9(12(3,4)5)10(14)13(11)15-6-7-16-13/h8H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one has a molecular weight of 240.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14715020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).