trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid

C10H18O3 — CID 97135622

IUPACtrans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)C[C@H](O)C[C@@](C)(C(=O)O)C1
InChIInChI=1S/C10H18O3/c1-9(2)4-7(11)5-10(3,6-9)8(12)13/h7,11H,4-6H2,1-3H3,(H,12,13)/t7-,10+/m0/s1
InChIKeyGBDKEADQGMHTHJ-OIBJUYFYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds1

About trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid

trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid (PubChem CID 97135622) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid
PubChem CID97135622
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nametrans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)C[C@H](O)C[C@@](C)(C(=O)O)C1
InChIInChI=1S/C10H18O3/c1-9(2)4-7(11)5-10(3,6-9)8(12)13/h7,11H,4-6H2,1-3H3,(H,12,13)/t7-,10+/m0/s1
InChIKeyGBDKEADQGMHTHJ-OIBJUYFYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
cis-(1S,3S)-3-hydroxy-1-methylcyclopentane-1-carboxylic acid
CID 66753163
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid
CID 99995862
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103961419
(1R,3S,5S)-3-methylbicyclo[3.3.1]nonane-1,3-dicarboxylic acid
CID 90772732
(2S)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 57368515

Frequently Asked Questions

What is the IUPAC name of trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid (CID 97135622) is trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid is CC1(C)C[C@H](O)C[C@@](C)(C(=O)O)C1.
What is the InChIKey of trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is GBDKEADQGMHTHJ-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)4-7(11)5-10(3,6-9)8(12)13/h7,11H,4-6H2,1-3H3,(H,12,13)/t7-,10+/m0/s1.
What are the key properties of trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid?
trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5S)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 97135622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).