(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol

C15H20O3 — CID 10800580

IUPAC(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
SMILESCc1cc2c(cc1O)[C@@]1(C)CC[C@@](O)(O2)C1(C)C
InChIInChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3/t14-,15-/m1/s1
InChIKeyKANVQRLDTGOSBL-HUUCEWRRSA-N
MW248.32 g/mol
LogP2.86
Rot. Bonds

About (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol

(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol (PubChem CID 10800580) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol.

Molecular Properties

Compound Name(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
PubChem CID10800580
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
SMILESCc1cc2c(cc1O)[C@@]1(C)CC[C@@](O)(O2)C1(C)C
InChIInChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3/t14-,15-/m1/s1
InChIKeyKANVQRLDTGOSBL-HUUCEWRRSA-N
XLogP2.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol with MolForge

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Related Compounds

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CID 11043646
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-7-octyl-
CID 91221
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2,4-trimethyl-7-(1,1,3,3-tetramethylbutyl)-
CID 86720
6-t-Butyl-5-hydroxy-2,3-dihydrobenzofuran
CID 14143240
2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol
CID 24763332
Laurentristich-4-Ol
CID 21778174
6-Hydroxy-2,2,5,7-tetramethylchroman
CID 151899
1,5,12,12-Tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
CID 21578749
7-tert-butyl-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 9980585
2,2,7,8-Tetramethyl-6-chromanol
CID 151903
3,3',4,4'-Tetrahydro-4,4,4',4',7,7'-hexamethyl-2,2'-spirobi(2H-1-benzopyran)-6,6'-diol
CID 10937491
1,5,12,12-Tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
CID 72756155

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol?
The IUPAC name of (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol (CID 10800580) is (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol.
What is the SMILES notation for (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol?
The canonical SMILES for (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol is Cc1cc2c(cc1O)[C@@]1(C)CC[C@@](O)(O2)C1(C)C.
What is the InChIKey of (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol?
The InChIKey is KANVQRLDTGOSBL-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol?
(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol has a molecular weight of 248.32 g/mol, XLogP of 2.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol is sourced from PubChem (CID 10800580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).