ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C10H18O2 — CID 91552369

IUPACethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC.OC1OC2CC3CC1C2C3
InChIInChI=1S/C8H12O2.C2H6/c9-8-6-2-4-1-5(6)7(3-4)10-8;1-2/h4-9H,1-3H2;1-2H3
InChIKeyGSZUFYBWZPYMLO-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.78
Rot. Bonds

About ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol

ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 91552369) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Nameethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID91552369
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC.OC1OC2CC3CC1C2C3
InChIInChI=1S/C8H12O2.C2H6/c9-8-6-2-4-1-5(6)7(3-4)10-8;1-2/h4-9H,1-3H2;1-2H3
InChIKeyGSZUFYBWZPYMLO-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-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 ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 91552369) is ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol is CC.OC1OC2CC3CC1C2C3.
What is the InChIKey of ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is GSZUFYBWZPYMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C2H6/c9-8-6-2-4-1-5(6)7(3-4)10-8;1-2/h4-9H,1-3H2;1-2H3.
What are the key properties of ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 170.25 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 91552369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).