(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene

C15H18O4 — CID 11334506

IUPAC(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene
SMILESCC1(C)Oc2cc3c(cc2[C@@H]2OCCC[C@H]21)OCO3
InChIInChI=1S/C15H18O4/c1-15(2)10-4-3-5-16-14(10)9-6-12-13(18-8-17-12)7-11(9)19-15/h6-7,10,14H,3-5,8H2,1-2H3/t10-,14+/m1/s1
InChIKeyNWNJBNDMHZLJSC-YGRLFVJLSA-N
MW262.31 g/mol
LogP3.05
Rot. Bonds

About (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene

(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene (PubChem CID 11334506) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene.

Molecular Properties

Compound Name(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene
PubChem CID11334506
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene
SMILESCC1(C)Oc2cc3c(cc2[C@@H]2OCCC[C@H]21)OCO3
InChIInChI=1S/C15H18O4/c1-15(2)10-4-3-5-16-14(10)9-6-12-13(18-8-17-12)7-11(9)19-15/h6-7,10,14H,3-5,8H2,1-2H3/t10-,14+/m1/s1
InChIKeyNWNJBNDMHZLJSC-YGRLFVJLSA-N
XLogP3.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene?
The IUPAC name of (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene (CID 11334506) is (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene.
What is the SMILES notation for (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene?
The canonical SMILES for (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene is CC1(C)Oc2cc3c(cc2[C@@H]2OCCC[C@H]21)OCO3.
What is the InChIKey of (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene?
The InChIKey is NWNJBNDMHZLJSC-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H18O4/c1-15(2)10-4-3-5-16-14(10)9-6-12-13(18-8-17-12)7-11(9)19-15/h6-7,10,14H,3-5,8H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene?
(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene has a molecular weight of 262.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene is sourced from PubChem (CID 11334506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).