3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol

C9H14O3 — CID 66837734

IUPAC3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
SMILESCC12OC(O)C3CC(CC31)C2O
InChIInChI=1S/C9H14O3/c1-9-6-3-4(7(9)10)2-5(6)8(11)12-9/h4-8,10-11H,2-3H2,1H3
InChIKeyBFEJSSJPCARTCP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.11
Rot. Bonds

About 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol

3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol (PubChem CID 66837734) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol.

Molecular Properties

Compound Name3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
PubChem CID66837734
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
SMILESCC12OC(O)C3CC(CC31)C2O
InChIInChI=1S/C9H14O3/c1-9-6-3-4(7(9)10)2-5(6)8(11)12-9/h4-8,10-11H,2-3H2,1H3
InChIKeyBFEJSSJPCARTCP-UHFFFAOYSA-N
XLogP0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

(5-Hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate
CID 164157477
2,9-Dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 90799758
(2R,9S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 126664278
(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 130311942
3,5-Dimethoxy-4-oxatricyclo[5.2.1.0~2,6~]decane-8,9-diol
CID 56698397
(1R,2S,3S,6S,7R)-5-(methoxymethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
CID 21632261
5,7-Dioxatetracyclo[6.3.0.02,6.03,10]undecan-9-ol
CID 73999473
1-Methyl-9,11,12-trioxapentacyclo[5.4.1.02,6.03,10.04,8]dodecane
CID 85157145
(4S,9S)-6-methyl-5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecane-4,9-diol
CID 101012280
(4S,9S)-6-butyl-5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecane-4,9-diol
CID 101012281
(4S,9S)-6-octyl-5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecane-4,9-diol
CID 101012282
rel-(3R,3aS,5S,6R,6aR)-Hexahydro-3,5-methano-2H-cyclopenta(b)furan-6-ol
CID 165344237

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
The IUPAC name of 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol (CID 66837734) is 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol.
What is the SMILES notation for 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
The canonical SMILES for 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol is CC12OC(O)C3CC(CC31)C2O.
What is the InChIKey of 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
The InChIKey is BFEJSSJPCARTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-9-6-3-4(7(9)10)2-5(6)8(11)12-9/h4-8,10-11H,2-3H2,1H3.
What are the key properties of 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol has a molecular weight of 170.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol is sourced from PubChem (CID 66837734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).