trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one

C15H26O4 — CID 11043837

IUPACtrans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
SMILESCC(=O)CCC[C@]1(C)CC[C@@H]([C@@](C)(O)CO)CC1=O
InChIInChI=1S/C15H26O4/c1-11(17)5-4-7-14(2)8-6-12(9-13(14)18)15(3,19)10-16/h12,16,19H,4-10H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyOOWSYPZXYUUKPC-YUELXQCFSA-N
MW270.37 g/mol
LogP1.86
Rot. Bonds6

About trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one

trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one (PubChem CID 11043837) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
PubChem CID11043837
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nametrans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
SMILESCC(=O)CCC[C@]1(C)CC[C@@H]([C@@](C)(O)CO)CC1=O
InChIInChI=1S/C15H26O4/c1-11(17)5-4-7-14(2)8-6-12(9-13(14)18)15(3,19)10-16/h12,16,19H,4-10H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyOOWSYPZXYUUKPC-YUELXQCFSA-N
XLogP1.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one?
The IUPAC name of trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one (CID 11043837) is trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one.
What is the SMILES notation for trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one?
The canonical SMILES for trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one is CC(=O)CCC[C@]1(C)CC[C@@H]([C@@](C)(O)CO)CC1=O.
What is the InChIKey of trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one?
The InChIKey is OOWSYPZXYUUKPC-YUELXQCFSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(17)5-4-7-14(2)8-6-12(9-13(14)18)15(3,19)10-16/h12,16,19H,4-10H2,1-3H3/t12-,14-,15+/m1/s1.
What are the key properties of trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one?
trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one has a molecular weight of 270.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one is sourced from PubChem (CID 11043837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).