1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one

C15H22O5 — CID 72983086

IUPAC1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one
SMILESCC1C(O)C2(O)C(=O)OC3C4C(CC4(C)C)C2(C)C13O
InChIInChI=1S/C15H22O5/c1-6-9(16)15(19)11(17)20-10-8-7(5-12(8,2)3)13(15,4)14(6,10)18/h6-10,16,18-19H,5H2,1-4H3
InChIKeyLLSVGPGDHSNECB-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.07
Rot. Bonds

About 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one

1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one (PubChem CID 72983086) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one.

Molecular Properties

Compound Name1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one
PubChem CID72983086
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one
SMILESCC1C(O)C2(O)C(=O)OC3C4C(CC4(C)C)C2(C)C13O
InChIInChI=1S/C15H22O5/c1-6-9(16)15(19)11(17)20-10-8-7(5-12(8,2)3)13(15,4)14(6,10)18/h6-10,16,18-19H,5H2,1-4H3
InChIKeyLLSVGPGDHSNECB-UHFFFAOYSA-N
XLogP0.07
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S,5S,6R,8S,9S,10R,11S)-11-hydroxy-3,3,6,10-tetramethyl-7-oxo-12-oxatetracyclo[7.2.1.02,5.06,11]dodecan-8-yl] acetate
CID 162876844
(3R,5S)-9-hydroxy-11,11,13,14-tetramethyl-4,7,12-trioxapentacyclo[6.4.1.11,10.03,5.05,13]tetradecan-6-one
CID 162768882
3,4-dihydroxy-3,5-dimethyloxolan-2-one
CID 130144854
(1S,5S)-1-(hydroxymethyl)-4,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 11412782
3,3,6,6-tetramethylbicyclo[3.1.0]hexan-2-ol
CID 15025025
(3S,4S,5R)-3,4-dihydroxy-5-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-3-methyloxolan-2-one
CID 102254228
(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one
CID 143291862
(1S,2S,5R,8R,9R)-9-hydroxy-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-7-one
CID 42625153
(1S,2S,3S,6R,10R,11S,14R)-3,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione
CID 162998638
(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798
5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
CID 574735

Frequently Asked Questions

What is the IUPAC name of 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one?
The IUPAC name of 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one (CID 72983086) is 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one.
What is the SMILES notation for 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one?
The canonical SMILES for 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one is CC1C(O)C2(O)C(=O)OC3C4C(CC4(C)C)C2(C)C13O.
What is the InChIKey of 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one?
The InChIKey is LLSVGPGDHSNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-6-9(16)15(19)11(17)20-10-8-7(5-12(8,2)3)13(15,4)14(6,10)18/h6-10,16,18-19H,5H2,1-4H3.
What are the key properties of 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one?
1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one has a molecular weight of 282.34 g/mol, XLogP of 0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one is sourced from PubChem (CID 72983086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).