(1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol

C10H14O5 — CID 10774973

IUPAC(1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol
SMILESCC1(C)O[C@H]2O[C@@H]3[C@H](O)C=C[C@]3(O)[C@H]2O1
InChIInChI=1S/C10H14O5/c1-9(2)14-7-8(15-9)13-6-5(11)3-4-10(6,7)12/h3-8,11-12H,1-2H3/t5-,6-,7+,8-,10-/m1/s1
InChIKeyHPKWHAUXUIUBOE-HPFNVAMJSA-N
MW214.22 g/mol
LogP-0.48
Rot. Bonds

About (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol

(1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol (PubChem CID 10774973) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol.

Molecular Properties

Compound Name(1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol
PubChem CID10774973
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol
SMILESCC1(C)O[C@H]2O[C@@H]3[C@H](O)C=C[C@]3(O)[C@H]2O1
InChIInChI=1S/C10H14O5/c1-9(2)14-7-8(15-9)13-6-5(11)3-4-10(6,7)12/h3-8,11-12H,1-2H3/t5-,6-,7+,8-,10-/m1/s1
InChIKeyHPKWHAUXUIUBOE-HPFNVAMJSA-N
XLogP-0.48
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
The IUPAC name of (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol (CID 10774973) is (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol.
What is the SMILES notation for (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
The canonical SMILES for (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol is CC1(C)O[C@H]2O[C@@H]3[C@H](O)C=C[C@]3(O)[C@H]2O1.
What is the InChIKey of (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
The InChIKey is HPKWHAUXUIUBOE-HPFNVAMJSA-N. The full InChI is InChI=1S/C10H14O5/c1-9(2)14-7-8(15-9)13-6-5(11)3-4-10(6,7)12/h3-8,11-12H,1-2H3/t5-,6-,7+,8-,10-/m1/s1.
What are the key properties of (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
(1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol has a molecular weight of 214.22 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8R,9R)-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol is sourced from PubChem (CID 10774973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).