2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one

C16H28O5 — CID 71045027

IUPAC2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one
SMILESCCOC1OC(CC)(CC)C2(O1)C(CC)CC(=O)OC2C
InChIInChI=1S/C16H28O5/c1-6-12-10-13(17)19-11(5)16(12)15(7-2,8-3)20-14(21-16)18-9-4/h11-12,14H,6-10H2,1-5H3
InChIKeyHPOTWCMAKPQBCU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.01
Rot. Bonds5

About 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one

2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one (PubChem CID 71045027) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one
PubChem CID71045027
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one
SMILESCCOC1OC(CC)(CC)C2(O1)C(CC)CC(=O)OC2C
InChIInChI=1S/C16H28O5/c1-6-12-10-13(17)19-11(5)16(12)15(7-2,8-3)20-14(21-16)18-9-4/h11-12,14H,6-10H2,1-5H3
InChIKeyHPOTWCMAKPQBCU-UHFFFAOYSA-N
XLogP3.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one?
The IUPAC name of 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one (CID 71045027) is 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one?
The canonical SMILES for 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one is CCOC1OC(CC)(CC)C2(O1)C(CC)CC(=O)OC2C.
What is the InChIKey of 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one?
The InChIKey is HPOTWCMAKPQBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-6-12-10-13(17)19-11(5)16(12)15(7-2,8-3)20-14(21-16)18-9-4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one?
2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one has a molecular weight of 300.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 71045027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).