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

C13H20O4 — CID 14715019

IUPAC2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCCCCC1=C(OC(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C13H20O4/c1-4-5-6-10-11(14)13(15-7-8-16-13)12(10)17-9(2)3/h9H,4-8H2,1-3H3
InChIKeyYPKWJUOAADWBAA-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.18
Rot. Bonds5

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

2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14715019) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14715019
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCCCCC1=C(OC(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C13H20O4/c1-4-5-6-10-11(14)13(15-7-8-16-13)12(10)17-9(2)3/h9H,4-8H2,1-3H3
InChIKeyYPKWJUOAADWBAA-UHFFFAOYSA-N
XLogP2.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Diethoxy-4-methoxy-2-(2-methylallyl)cyclobut-2-en-1-one
CID 394537
1-Isopropoxy-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 394539
2-Methyl-3-[(propan-2-yl)oxy]-5,8-dioxaspiro[3.4]oct-2-en-1-one
CID 14715018
ethyl 4-ethoxycarbonyloxy-2-octyl-5-oxo-2H-furan-3-carboxylate
CID 59180468
2-Butyl-3,4,4-trimethoxycyclobut-2-en-1-one
CID 10375944
2-Butyl-4-methoxy-4-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 11128011
1-Butyl-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 11138034
2-Tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715020
2-Butyl-1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715043
2-Butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715044
2-Butyl-1-hex-1-ynyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715046
1-Acetyl-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14952261

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14715019) is 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one is CCCCC1=C(OC(C)C)C2(OCCO2)C1=O.
What is the InChIKey of 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is YPKWJUOAADWBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-4-5-6-10-11(14)13(15-7-8-16-13)12(10)17-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
2-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 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14715019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).