9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione

C15H16O4 — CID 44631634

IUPAC9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione
SMILESCC1=C2OC(C)(C)C3=C2C(=C(O)C1=O)C(C)CC3=O
InChIInChI=1S/C15H16O4/c1-6-5-8(16)11-10-9(6)13(18)12(17)7(2)14(10)19-15(11,3)4/h6,18H,5H2,1-4H3
InChIKeyBOLNVNUMUYBVRU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.37
Rot. Bonds

About 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione

9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione (PubChem CID 44631634) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione.

Molecular Properties

Compound Name9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione
PubChem CID44631634
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione
SMILESCC1=C2OC(C)(C)C3=C2C(=C(O)C1=O)C(C)CC3=O
InChIInChI=1S/C15H16O4/c1-6-5-8(16)11-10-9(6)13(18)12(17)7(2)14(10)19-15(11,3)4/h6,18H,5H2,1-4H3
InChIKeyBOLNVNUMUYBVRU-UHFFFAOYSA-N
XLogP2.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,8S)-10-hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),9-triene-6,11-dione
CID 139072119
(7S)-9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-trien-10-one
CID 642922
Lwwdggwfyuvcfw-uhfffaoysa-
CID 5248477
5-Hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
CID 5250665
10-Hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),9-triene-6,11-dione
CID 21589523
(R)-4,5-Dihydro-6-hydroxy-2,2,5,8-tetramethyl-2H-naphtho[1,8-bc]furan-7(3H)-one
CID 12314090
(7aS)-5-hydroxy-2,2,4,6,7-pentamethyl-7,7a-dihydro-1-benzofuran-3-one
CID 141850282
9-Hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-trien-10-one
CID 12314089
(2R,6S)-6-hydroxy-2,6,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-one
CID 21628429
(2R,6R)-6-hydroxy-2,6,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-one
CID 21628430
(7R)-9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione
CID 21671483
6-Hydroxy-2,6,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-one
CID 73814022

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione?
The IUPAC name of 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione (CID 44631634) is 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione.
What is the SMILES notation for 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione?
The canonical SMILES for 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione is CC1=C2OC(C)(C)C3=C2C(=C(O)C1=O)C(C)CC3=O.
What is the InChIKey of 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione?
The InChIKey is BOLNVNUMUYBVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-6-5-8(16)11-10-9(6)13(18)12(17)7(2)14(10)19-15(11,3)4/h6,18H,5H2,1-4H3.
What are the key properties of 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione?
9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione has a molecular weight of 260.29 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione is sourced from PubChem (CID 44631634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).