4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol

C10H14O5 — CID 71437204

IUPAC4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol
SMILESCC1(C)OC2OC3C(O)C=CC3(O)C2O1
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
InChIKeyHPKWHAUXUIUBOE-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.48
Rot. Bonds

About 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol

4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol (PubChem CID 71437204) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol.

Molecular Properties

Compound Name4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol
PubChem CID71437204
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol
SMILESCC1(C)OC2OC3C(O)C=CC3(O)C2O1
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
InChIKeyHPKWHAUXUIUBOE-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
The IUPAC name of 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol (CID 71437204) is 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol.
What is the SMILES notation for 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
The canonical SMILES for 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol is CC1(C)OC2OC3C(O)C=CC3(O)C2O1.
What is the InChIKey of 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
The InChIKey is HPKWHAUXUIUBOE-UHFFFAOYSA-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.
What are the key properties of 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol?
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 4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-ene-1,9-diol is sourced from PubChem (CID 71437204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).