(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol

C9H14O5 — CID 10465447

IUPAC(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
SMILESCC1(C)O[C@@H]2[C@@H](O)[C@@H]3OC[C@@H](O3)[C@@H]2O1
InChIInChI=1S/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
InChIKeyIQSQTOWMVAKJTC-JAJWTYFOSA-N
MW202.21 g/mol
LogP-0.38
Rot. Bonds

About (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol

(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (PubChem CID 10465447) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol.

Molecular Properties

Compound Name(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
PubChem CID10465447
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
SMILESCC1(C)O[C@@H]2[C@@H](O)[C@@H]3OC[C@@H](O3)[C@@H]2O1
InChIInChI=1S/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
InChIKeyIQSQTOWMVAKJTC-JAJWTYFOSA-N
XLogP-0.38
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-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,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
The IUPAC name of (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (CID 10465447) is (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol.
What is the SMILES notation for (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
The canonical SMILES for (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol is CC1(C)O[C@@H]2[C@@H](O)[C@@H]3OC[C@@H](O3)[C@@H]2O1.
What is the InChIKey of (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
The InChIKey is IQSQTOWMVAKJTC-JAJWTYFOSA-N. The full InChI is InChI=1S/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1.
What are the key properties of (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol has a molecular weight of 202.21 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol is sourced from PubChem (CID 10465447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).