4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione

C14H22O5 — CID 20734602

IUPAC4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione
SMILESCCC1(C)COC(=O)C2(COC(=O)C(C)(CO)C2)C1
InChIInChI=1S/C14H22O5/c1-4-12(2)5-14(11(17)18-8-12)6-13(3,7-15)10(16)19-9-14/h15H,4-9H2,1-3H3
InChIKeyBBPWHSKREJVMIB-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.28
Rot. Bonds2

About 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione

4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione (PubChem CID 20734602) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione.

Molecular Properties

Compound Name4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione
PubChem CID20734602
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione
SMILESCCC1(C)COC(=O)C2(COC(=O)C(C)(CO)C2)C1
InChIInChI=1S/C14H22O5/c1-4-12(2)5-14(11(17)18-8-12)6-13(3,7-15)10(16)19-9-14/h15H,4-9H2,1-3H3
InChIKeyBBPWHSKREJVMIB-UHFFFAOYSA-N
XLogP1.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione?
The IUPAC name of 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione (CID 20734602) is 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione.
What is the SMILES notation for 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione?
The canonical SMILES for 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione is CCC1(C)COC(=O)C2(COC(=O)C(C)(CO)C2)C1.
What is the InChIKey of 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione?
The InChIKey is BBPWHSKREJVMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-4-12(2)5-14(11(17)18-8-12)6-13(3,7-15)10(16)19-9-14/h15H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione?
4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione has a molecular weight of 270.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione is sourced from PubChem (CID 20734602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).