(3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene

C12H18O3 — CID 135040370

IUPAC(3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene
SMILESC1=CCC2O[C@@H]3CCCO[C@@H]3CC2OC1
InChIInChI=1S/C12H18O3/c1-2-6-13-11-8-12-10(5-3-7-14-12)15-9(11)4-1/h1-2,9-12H,3-8H2/t9?,10-,11?,12-/m1/s1
InChIKeySCTNMTLOLOFYMT-RUJICJSRSA-N
MW210.27 g/mol
LogP1.67
Rot. Bonds

About (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene

(3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene (PubChem CID 135040370) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene.

Molecular Properties

Compound Name(3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene
PubChem CID135040370
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene
SMILESC1=CCC2O[C@@H]3CCCO[C@@H]3CC2OC1
InChIInChI=1S/C12H18O3/c1-2-6-13-11-8-12-10(5-3-7-14-12)15-9(11)4-1/h1-2,9-12H,3-8H2/t9?,10-,11?,12-/m1/s1
InChIKeySCTNMTLOLOFYMT-RUJICJSRSA-N
XLogP1.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?
The IUPAC name of (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene (CID 135040370) is (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene.
What is the SMILES notation for (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?
The canonical SMILES for (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene is C1=CCC2O[C@@H]3CCCO[C@@H]3CC2OC1.
What is the InChIKey of (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?
The InChIKey is SCTNMTLOLOFYMT-RUJICJSRSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-6-13-11-8-12-10(5-3-7-14-12)15-9(11)4-1/h1-2,9-12H,3-8H2/t9?,10-,11?,12-/m1/s1.
What are the key properties of (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?
(3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene has a molecular weight of 210.27 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene is sourced from PubChem (CID 135040370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).