9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol

C10H18O4 — CID 68652874

IUPAC9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol
SMILESCOC1(OC)C2COCC1CC(O)C2
InChIInChI=1S/C10H18O4/c1-12-10(13-2)7-3-9(11)4-8(10)6-14-5-7/h7-9,11H,3-6H2,1-2H3
InChIKeyWZAFHFDPQORBAX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.39
Rot. Bonds2

About 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol

9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol (PubChem CID 68652874) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol
PubChem CID68652874
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol
SMILESCOC1(OC)C2COCC1CC(O)C2
InChIInChI=1S/C10H18O4/c1-12-10(13-2)7-3-9(11)4-8(10)6-14-5-7/h7-9,11H,3-6H2,1-2H3
InChIKeyWZAFHFDPQORBAX-UHFFFAOYSA-N
XLogP0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol (CID 68652874) is 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol is COC1(OC)C2COCC1CC(O)C2.
What is the InChIKey of 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol?
The InChIKey is WZAFHFDPQORBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-10(13-2)7-3-9(11)4-8(10)6-14-5-7/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol?
9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol has a molecular weight of 202.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethoxy-3-oxabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 68652874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).