(1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene

C15H22O — CID 91752520

IUPAC(1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene
SMILESCC1=CC[C@@H]2[C@H]([C@H]3C1=COC[C@@H]3C)C2(C)C
InChIInChI=1S/C15H22O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,10,12-14H,6-7H2,1-4H3/t10-,12+,13+,14+/m0/s1
InChIKeyPEDRFNLMEGPQLB-IGHBBLSQSA-N
MW218.34 g/mol
LogP3.78
Rot. Bonds

About (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene

(1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene (PubChem CID 91752520) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene.

Molecular Properties

Compound Name(1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene
PubChem CID91752520
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene
SMILESCC1=CC[C@@H]2[C@H]([C@H]3C1=COC[C@@H]3C)C2(C)C
InChIInChI=1S/C15H22O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,10,12-14H,6-7H2,1-4H3/t10-,12+,13+,14+/m0/s1
InChIKeyPEDRFNLMEGPQLB-IGHBBLSQSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
The IUPAC name of (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene (CID 91752520) is (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene.
What is the SMILES notation for (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
The canonical SMILES for (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene is CC1=CC[C@@H]2[C@H]([C@H]3C1=COC[C@@H]3C)C2(C)C.
What is the InChIKey of (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
The InChIKey is PEDRFNLMEGPQLB-IGHBBLSQSA-N. The full InChI is InChI=1S/C15H22O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,10,12-14H,6-7H2,1-4H3/t10-,12+,13+,14+/m0/s1.
What are the key properties of (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene?
(1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene has a molecular weight of 218.34 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,12R)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene is sourced from PubChem (CID 91752520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).