3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one

C13H22O3 — CID 10889608

IUPAC3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one
SMILESCC1(C)COC2(CCCC(=O)C2(C)C)OC1
InChIInChI=1S/C13H22O3/c1-11(2)8-15-13(16-9-11)7-5-6-10(14)12(13,3)4/h5-9H2,1-4H3
InChIKeyDDGARGRPFADSHH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.53
Rot. Bonds

About 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one

3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one (PubChem CID 10889608) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one
PubChem CID10889608
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one
SMILESCC1(C)COC2(CCCC(=O)C2(C)C)OC1
InChIInChI=1S/C13H22O3/c1-11(2)8-15-13(16-9-11)7-5-6-10(14)12(13,3)4/h5-9H2,1-4H3
InChIKeyDDGARGRPFADSHH-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one?
The IUPAC name of 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one (CID 10889608) is 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one.
What is the SMILES notation for 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one?
The canonical SMILES for 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one is CC1(C)COC2(CCCC(=O)C2(C)C)OC1.
What is the InChIKey of 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one?
The InChIKey is DDGARGRPFADSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-11(2)8-15-13(16-9-11)7-5-6-10(14)12(13,3)4/h5-9H2,1-4H3.
What are the key properties of 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one?
3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one has a molecular weight of 226.32 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,11,11-tetramethyl-1,5-dioxaspiro[5.5]undecan-10-one is sourced from PubChem (CID 10889608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).