3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol

C11H20O4 — CID 163975301

IUPAC3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol
SMILESCC(C)OC12OC(C)C(C)(O)CC1C2O
InChIInChI=1S/C11H20O4/c1-6(2)14-11-8(9(11)12)5-10(4,13)7(3)15-11/h6-9,12-13H,5H2,1-4H3
InChIKeySTOMAUAHWZXOJB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.66
Rot. Bonds2

About 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol

3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol (PubChem CID 163975301) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol.

Molecular Properties

Compound Name3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol
PubChem CID163975301
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol
SMILESCC(C)OC12OC(C)C(C)(O)CC1C2O
InChIInChI=1S/C11H20O4/c1-6(2)14-11-8(9(11)12)5-10(4,13)7(3)15-11/h6-9,12-13H,5H2,1-4H3
InChIKeySTOMAUAHWZXOJB-UHFFFAOYSA-N
XLogP0.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol with MolForge

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Related Compounds

2-[dimethyl(propan-2-yloxy)silyl]-1-methylcyclopropan-1-ol
CID 67276582
ethane;2,4,6-trimethyloxane-3,4-diol
CID 168899999
(1S,3S,4R,6R)-3,7,7-trimethyl-4-trimethylsilyloxybicyclo[4.1.0]heptan-3-ol
CID 11139315
(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 59057770
(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol
CID 59070474
(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 10261332
(1R,2R,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 131849352
trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 125424211
2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 131476387
5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 89394802
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
2,4-dimethyloxetane-2,3-diol
CID 142770026

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol?
The IUPAC name of 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol (CID 163975301) is 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol.
What is the SMILES notation for 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol?
The canonical SMILES for 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol is CC(C)OC12OC(C)C(C)(O)CC1C2O.
What is the InChIKey of 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol?
The InChIKey is STOMAUAHWZXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6(2)14-11-8(9(11)12)5-10(4,13)7(3)15-11/h6-9,12-13H,5H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol?
3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol has a molecular weight of 216.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-propan-2-yloxy-2-oxabicyclo[4.1.0]heptane-4,7-diol is sourced from PubChem (CID 163975301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).