(1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione

C15H20O4 — CID 162852647

IUPAC(1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione
SMILESCC1(C)C[C@]23[C@@H]4CC[C@H]1[C@@H]2CC(=O)[C@@]3(CO)OC4=O
InChIInChI=1S/C15H20O4/c1-13(2)6-14-9-4-3-8(13)10(14)5-11(17)15(14,7-16)19-12(9)18/h8-10,16H,3-7H2,1-2H3/t8-,9+,10-,14-,15+/m0/s1
InChIKeyWUCRGJAHBCTMHG-UDTKAHAISA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds1

About (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione

(1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione (PubChem CID 162852647) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione.

Molecular Properties

Compound Name(1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione
PubChem CID162852647
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione
SMILESCC1(C)C[C@]23[C@@H]4CC[C@H]1[C@@H]2CC(=O)[C@@]3(CO)OC4=O
InChIInChI=1S/C15H20O4/c1-13(2)6-14-9-4-3-8(13)10(14)5-11(17)15(14,7-16)19-12(9)18/h8-10,16H,3-7H2,1-2H3/t8-,9+,10-,14-,15+/m0/s1
InChIKeyWUCRGJAHBCTMHG-UDTKAHAISA-N
XLogP1.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione 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

5-(bromomethyl)-8,8-dimethyl-6-oxabicyclo[3.2.1]octane-4,7-dione
CID 102568082
(1S,5S)-5-(bromomethyl)-8,8-dimethyl-6-oxabicyclo[3.2.1]octane-4,7-dione
CID 12993237
(1S,5R,9S,12S)-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione
CID 118701363
(1R,2R,5S,6R,9R)-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
CID 38358866
N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide
CID 130875199
(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol
CID 130149210
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827
2-[(1S,5R)-1-(cyanomethyl)-6,6-dimethyl-2-oxo-8-bicyclo[3.2.1]octanyl]acetic acid
CID 164679177
1-(hydroxymethyl)-6-(3-methyloxiran-2-yl)bicyclo[3.1.0]hexan-2-one
CID 85099685
(1R,5R,6R)-1-(hydroxymethyl)-6-[(2S,3S)-3-methyloxiran-2-yl]bicyclo[3.1.0]hexan-2-one
CID 10035259
(1S,4S)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 98048147

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione?
The IUPAC name of (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione (CID 162852647) is (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione.
What is the SMILES notation for (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione?
The canonical SMILES for (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione is CC1(C)C[C@]23[C@@H]4CC[C@H]1[C@@H]2CC(=O)[C@@]3(CO)OC4=O.
What is the InChIKey of (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione?
The InChIKey is WUCRGJAHBCTMHG-UDTKAHAISA-N. The full InChI is InChI=1S/C15H20O4/c1-13(2)6-14-9-4-3-8(13)10(14)5-11(17)15(14,7-16)19-12(9)18/h8-10,16H,3-7H2,1-2H3/t8-,9+,10-,14-,15+/m0/s1.
What are the key properties of (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione?
(1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione has a molecular weight of 264.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,8S,11S)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.01,5.02,11]tridecane-4,7-dione is sourced from PubChem (CID 162852647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).