5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol

C11H20O2 — CID 13423312

IUPAC5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
SMILESCC1(C)OC2(C)CCC1CCC2O
InChIInChI=1S/C11H20O2/c1-10(2)8-4-5-9(12)11(3,13-10)7-6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyVWTWLXLQCMXDNO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds

About 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol

5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol (PubChem CID 13423312) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol.

Molecular Properties

Compound Name5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
PubChem CID13423312
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
SMILESCC1(C)OC2(C)CCC1CCC2O
InChIInChI=1S/C11H20O2/c1-10(2)8-4-5-9(12)11(3,13-10)7-6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyVWTWLXLQCMXDNO-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol?
The IUPAC name of 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol (CID 13423312) is 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol.
What is the SMILES notation for 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol?
The canonical SMILES for 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol is CC1(C)OC2(C)CCC1CCC2O.
What is the InChIKey of 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol?
The InChIKey is VWTWLXLQCMXDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-4-5-9(12)11(3,13-10)7-6-8/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol?
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol has a molecular weight of 184.28 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol is sourced from PubChem (CID 13423312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).