6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol

C8H14O2 — CID 91002830

IUPAC6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C2COC(O)C1C2
InChIInChI=1S/C8H14O2/c1-8(2)5-3-6(8)7(9)10-4-5/h5-7,9H,3-4H2,1-2H3
InChIKeyXXCQDFBGCLCGNM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.00
Rot. Bonds

About 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol

6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol (PubChem CID 91002830) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol
PubChem CID91002830
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C2COC(O)C1C2
InChIInChI=1S/C8H14O2/c1-8(2)5-3-6(8)7(9)10-4-5/h5-7,9H,3-4H2,1-2H3
InChIKeyXXCQDFBGCLCGNM-UHFFFAOYSA-N
XLogP1.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol?
The IUPAC name of 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol (CID 91002830) is 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol is CC1(C)C2COC(O)C1C2.
What is the InChIKey of 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol?
The InChIKey is XXCQDFBGCLCGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)5-3-6(8)7(9)10-4-5/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol?
6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 91002830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).