trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

C10H18O2 — CID 12608341

IUPACtrans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@]1(O)CC[C@@H](C)CC1=O
InChIInChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h7-8,12H,4-6H2,1-3H3/t8-,10-/m1/s1
InChIKeyFIPCVTLYVPYVMZ-PSASIEDQSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds1

About trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (PubChem CID 12608341) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
PubChem CID12608341
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nametrans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@]1(O)CC[C@@H](C)CC1=O
InChIInChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h7-8,12H,4-6H2,1-3H3/t8-,10-/m1/s1
InChIKeyFIPCVTLYVPYVMZ-PSASIEDQSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylcyclohexanol
CID 70745
5-Hydroxy-2-isopropyl-5-methylcyclohexanone
CID 537586
2-Ethyl-2-hydroxycyclohexan-1-one
CID 12395952
4-Hydroxy-4-(propan-2-yl)cyclohexan-1-one
CID 58641594
8-Hydroxy-p-menthan-3-one
CID 3014189
8-Hydroxymenthone
CID 13614904
1-(1-Hydroxycyclohexyl)butan-1-one
CID 13115545
2-Acetyl-2-hydroxycyclohexanon
CID 86186161
trans-(2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
CID 21630930
3-(2-Hydroxypropan-2-yl)cyclohexan-1-one
CID 71351818
trans-(2R,5S)-2-methoxy-2-methyl-5-propan-2-ylcyclohexan-1-one
CID 178341259
(+)-4-Hydroxy-p-menth-3-one
CID 12608339

Frequently Asked Questions

What is the IUPAC name of trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The IUPAC name of trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (CID 12608341) is trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The canonical SMILES for trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is CC(C)[C@]1(O)CC[C@@H](C)CC1=O.
What is the InChIKey of trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The InChIKey is FIPCVTLYVPYVMZ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h7-8,12H,4-6H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 12608341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).