(1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one

C8H12O3 — CID 15977571

IUPAC(1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
SMILESCC1(C)CC(=O)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C8H12O3/c1-8(2)3-5(9)6-4-10-7(8)11-6/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyCIOGZEQDIWITCE-RNFRBKRXSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds

About (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one

(1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one (PubChem CID 15977571) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
PubChem CID15977571
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
SMILESCC1(C)CC(=O)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C8H12O3/c1-8(2)3-5(9)6-4-10-7(8)11-6/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyCIOGZEQDIWITCE-RNFRBKRXSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one (CID 15977571) is (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one is CC1(C)CC(=O)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
The InChIKey is CIOGZEQDIWITCE-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2)3-5(9)6-4-10-7(8)11-6/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one?
(1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-4,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 15977571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).