4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one

C10H16O3 — CID 10241485

IUPAC4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
SMILESCC1CC(=O)C2OC1(C)OC2(C)C
InChIInChI=1S/C10H16O3/c1-6-5-7(11)8-9(2,3)13-10(6,4)12-8/h6,8H,5H2,1-4H3
InChIKeyDQGCUKNOOFZNBM-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds

About 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one

4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one (PubChem CID 10241485) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
PubChem CID10241485
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
SMILESCC1CC(=O)C2OC1(C)OC2(C)C
InChIInChI=1S/C10H16O3/c1-6-5-7(11)8-9(2,3)13-10(6,4)12-8/h6,8H,5H2,1-4H3
InChIKeyDQGCUKNOOFZNBM-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
The IUPAC name of 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one (CID 10241485) is 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one is CC1CC(=O)C2OC1(C)OC2(C)C.
What is the InChIKey of 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
The InChIKey is DQGCUKNOOFZNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-5-7(11)8-9(2,3)13-10(6,4)12-8/h6,8H,5H2,1-4H3.
What are the key properties of 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7,7-tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 10241485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).