(1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C15H20O — CID 23425328

IUPAC(1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)O[C@H]1CC[C@]2(C)C1(C)C
InChIInChI=1S/C15H20O/c1-10-5-6-11-12(9-10)16-13-7-8-15(11,4)14(13,2)3/h5-6,9,13H,7-8H2,1-4H3/t13-,15-/m0/s1
InChIKeyYGEJHDSOGNKMJK-ZFWWWQNUSA-N
MW216.32 g/mol
LogP3.83
Rot. Bonds

About (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 23425328) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID23425328
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)O[C@H]1CC[C@]2(C)C1(C)C
InChIInChI=1S/C15H20O/c1-10-5-6-11-12(9-10)16-13-7-8-15(11,4)14(13,2)3/h5-6,9,13H,7-8H2,1-4H3/t13-,15-/m0/s1
InChIKeyYGEJHDSOGNKMJK-ZFWWWQNUSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 23425328) is (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Cc1ccc2c(c1)O[C@H]1CC[C@]2(C)C1(C)C.
What is the InChIKey of (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is YGEJHDSOGNKMJK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H20O/c1-10-5-6-11-12(9-10)16-13-7-8-15(11,4)14(13,2)3/h5-6,9,13H,7-8H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 216.32 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 23425328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).