(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane

C11H20O2 — CID 10976171

IUPAC(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC(C)[C@]1(C)O[C@]2(C)CCC[C@H]1O2
InChIInChI=1S/C11H20O2/c1-8(2)11(4)9-6-5-7-10(3,12-9)13-11/h8-9H,5-7H2,1-4H3/t9-,10-,11+/m1/s1
InChIKeyKOOXVJXVLHDPLT-MXWKQRLJSA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds1

About (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane

(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 10976171) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID10976171
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC(C)[C@]1(C)O[C@]2(C)CCC[C@H]1O2
InChIInChI=1S/C11H20O2/c1-8(2)11(4)9-6-5-7-10(3,12-9)13-11/h8-9H,5-7H2,1-4H3/t9-,10-,11+/m1/s1
InChIKeyKOOXVJXVLHDPLT-MXWKQRLJSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane
CID 14545113
(1S,5R,7R)-5-methyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 14909882
5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 13296222
(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 12644663
2-methyl-2,3-di(propan-2-yl)oxirane
CID 18716113
(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
CID 135037220
2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane
CID 118685672
trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
CID 130874578
1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
CID 15441964
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
(1R,5S)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]octane
CID 11819178

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane (CID 10976171) is (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane is CC(C)[C@]1(C)O[C@]2(C)CCC[C@H]1O2.
What is the InChIKey of (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is KOOXVJXVLHDPLT-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)11(4)9-6-5-7-10(3,12-9)13-11/h8-9H,5-7H2,1-4H3/t9-,10-,11+/m1/s1.
What are the key properties of (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane?
(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 184.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 10976171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).