1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol

C15H20O4 — CID 72756155

IUPAC1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
SMILESCc1cc2c(cc1O)C1(C)C(O)CC(O)(O2)C1(C)C
InChIInChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3
InChIKeyDHKFEYFQGRWJNR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds

About 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol

1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol (PubChem CID 72756155) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol.

Molecular Properties

Compound Name1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
PubChem CID72756155
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
SMILESCc1cc2c(cc1O)C1(C)C(O)CC(O)(O2)C1(C)C
InChIInChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3
InChIKeyDHKFEYFQGRWJNR-UHFFFAOYSA-N
XLogP1.83
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Enokipodin C
CID 11043646
Enokipodin A
CID 10800580
1,5,12,12-Tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
CID 21578749
Hitoyopodin A
CID 139591189
(1S,9R)-4-methoxy-1-methylspiro[8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12,1'-cyclopropane]
CID 44385534
(1R,9S)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 23425328
Flamvelutpenoid B
CID 57327791
Hydrospirobenzofuran
CID 139589556
Sesquibenzopyran
CID 139589557
(7S,9S)-15-hydroxy-1-hitoyopodin A
CID 139591190
(7S,9R,11S)-13hydroxy-1-hitoyopodin A
CID 139591191
(+)-euroticin A
CID 156582811

Frequently Asked Questions

What is the IUPAC name of 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
The IUPAC name of 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol (CID 72756155) is 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol.
What is the SMILES notation for 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
The canonical SMILES for 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol is Cc1cc2c(cc1O)C1(C)C(O)CC(O)(O2)C1(C)C.
What is the InChIKey of 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
The InChIKey is DHKFEYFQGRWJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3.
What are the key properties of 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol has a molecular weight of 264.32 g/mol, XLogP of 1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol is sourced from PubChem (CID 72756155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).