4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione

C20H32O4 — CID 58711103

IUPAC4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione
SMILESCCC1(CC)COC(=O)C12CCCCC21C(=O)OCC1(CC)CC
InChIInChI=1S/C20H32O4/c1-5-17(6-2)13-23-15(21)19(17)11-9-10-12-20(19)16(22)24-14-18(20,7-3)8-4/h5-14H2,1-4H3
InChIKeyLDQQZFVSKWAEHJ-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.26
Rot. Bonds4

About 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione

4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione (PubChem CID 58711103) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione.

Molecular Properties

Compound Name4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione
PubChem CID58711103
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione
SMILESCCC1(CC)COC(=O)C12CCCCC21C(=O)OCC1(CC)CC
InChIInChI=1S/C20H32O4/c1-5-17(6-2)13-23-15(21)19(17)11-9-10-12-20(19)16(22)24-14-18(20,7-3)8-4/h5-14H2,1-4H3
InChIKeyLDQQZFVSKWAEHJ-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione?
The IUPAC name of 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione (CID 58711103) is 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione.
What is the SMILES notation for 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione?
The canonical SMILES for 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione is CCC1(CC)COC(=O)C12CCCCC21C(=O)OCC1(CC)CC.
What is the InChIKey of 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione?
The InChIKey is LDQQZFVSKWAEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-5-17(6-2)13-23-15(21)19(17)11-9-10-12-20(19)16(22)24-14-18(20,7-3)8-4/h5-14H2,1-4H3.
What are the key properties of 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione?
4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione has a molecular weight of 336.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione is sourced from PubChem (CID 58711103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).