(1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol

C10H18O2 — CID 10559076

IUPAC(1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol
SMILESCC1C[C@]2(C)CCC[C@](O)(C1)O2
InChIInChI=1S/C10H18O2/c1-8-6-9(2)4-3-5-10(11,7-8)12-9/h8,11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyICJULCSRWKHFOT-CBMCFHRWSA-N
MW170.25 g/mol
LogP2.06
Rot. Bonds

About (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol

(1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol (PubChem CID 10559076) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol.

Molecular Properties

Compound Name(1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol
PubChem CID10559076
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol
SMILESCC1C[C@]2(C)CCC[C@](O)(C1)O2
InChIInChI=1S/C10H18O2/c1-8-6-9(2)4-3-5-10(11,7-8)12-9/h8,11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyICJULCSRWKHFOT-CBMCFHRWSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
The IUPAC name of (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol (CID 10559076) is (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol.
What is the SMILES notation for (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
The canonical SMILES for (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol is CC1C[C@]2(C)CCC[C@](O)(C1)O2.
What is the InChIKey of (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
The InChIKey is ICJULCSRWKHFOT-CBMCFHRWSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-6-9(2)4-3-5-10(11,7-8)12-9/h8,11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1.
What are the key properties of (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol?
(1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3,5-dimethyl-9-oxabicyclo[3.3.1]nonan-1-ol is sourced from PubChem (CID 10559076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).