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

C14H22O3 — CID 14715044

IUPAC2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCCCCC1=C(C(C)(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C14H22O3/c1-5-6-7-10-11(13(2,3)4)14(12(10)15)16-8-9-17-14/h5-9H2,1-4H3
InChIKeyIJVPLWDQQIBDMS-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds3

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

2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14715044) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14715044
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCCCCC1=C(C(C)(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C14H22O3/c1-5-6-7-10-11(13(2,3)4)14(12(10)15)16-8-9-17-14/h5-9H2,1-4H3
InChIKeyIJVPLWDQQIBDMS-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-Butyl-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 11138034
2-Butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715019
2-Butyl-1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715043
1-Butyl-2-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715045
2-Butyl-1-hex-1-ynyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715046
1-Butyl-2-hex-1-ynyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715047
1-Tert-butyl-2-hex-1-ynyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715048
2-Tert-butyl-1-hex-1-ynyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715049
2-Methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14952262
2-(2,6,6-Trimethyl-1-cyclohexenyl)-[1,3]dioxolane-2-carbaldehyde
CID 24977996

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14715044) is 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is CCCCC1=C(C(C)(C)C)C2(OCCO2)C1=O.
What is the InChIKey of 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is IJVPLWDQQIBDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-6-7-10-11(13(2,3)4)14(12(10)15)16-8-9-17-14/h5-9H2,1-4H3.
What are the key properties of 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one has a molecular weight of 238.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14715044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).