(1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol

C9H16O2 — CID 54492867

IUPAC(1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol
SMILESCC12CCC(C1)C(C)(CO)O2
InChIInChI=1S/C9H16O2/c1-8-4-3-7(5-8)9(2,6-10)11-8/h7,10H,3-6H2,1-2H3
InChIKeyXWZSHHLEXOCGMO-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.33
Rot. Bonds1

About (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol

(1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol (PubChem CID 54492867) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol.

Molecular Properties

Compound Name(1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol
PubChem CID54492867
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol
SMILESCC12CCC(C1)C(C)(CO)O2
InChIInChI=1S/C9H16O2/c1-8-4-3-7(5-8)9(2,6-10)11-8/h7,10H,3-6H2,1-2H3
InChIKeyXWZSHHLEXOCGMO-UHFFFAOYSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol?
The IUPAC name of (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol (CID 54492867) is (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol.
What is the SMILES notation for (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol?
The canonical SMILES for (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol is CC12CCC(C1)C(C)(CO)O2.
What is the InChIKey of (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol?
The InChIKey is XWZSHHLEXOCGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-4-3-7(5-8)9(2,6-10)11-8/h7,10H,3-6H2,1-2H3.
What are the key properties of (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol?
(1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol is sourced from PubChem (CID 54492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).