(1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol

C15H24O3 — CID 46919357

IUPAC(1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol
SMILESCC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O)[C@@H]2O
InChIInChI=1S/C15H24O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8,10-11,13,16-17H,5-7H2,1-4H3/t10-,11-,13-,14+,15-/m1/s1
InChIKeyFMBZOCYRCPPOTM-SOMZYNEFSA-N
MW252.35 g/mol
LogP2.02
Rot. Bonds1

About (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol

(1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol (PubChem CID 46919357) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol.

Molecular Properties

Compound Name(1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol
PubChem CID46919357
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol
SMILESCC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O)[C@@H]2O
InChIInChI=1S/C15H24O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8,10-11,13,16-17H,5-7H2,1-4H3/t10-,11-,13-,14+,15-/m1/s1
InChIKeyFMBZOCYRCPPOTM-SOMZYNEFSA-N
XLogP2.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol?
The IUPAC name of (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol (CID 46919357) is (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol.
What is the SMILES notation for (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol?
The canonical SMILES for (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol is CC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O)[C@@H]2O.
What is the InChIKey of (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol?
The InChIKey is FMBZOCYRCPPOTM-SOMZYNEFSA-N. The full InChI is InChI=1S/C15H24O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8,10-11,13,16-17H,5-7H2,1-4H3/t10-,11-,13-,14+,15-/m1/s1.
What are the key properties of (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol?
(1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol has a molecular weight of 252.35 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol is sourced from PubChem (CID 46919357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).