(1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid

C10H16O3 — CID 130971202

IUPAC(1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid
SMILESCC(C)[C@H]1C=CCC[C@]1(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-7(2)8-5-3-4-6-10(8,13)9(11)12/h3,5,7-8,13H,4,6H2,1-2H3,(H,11,12)/t8-,10-/m1/s1
InChIKeyKGUAKKDWFFNWKX-PSASIEDQSA-N
MW184.24 g/mol
LogP1.42
Rot. Bonds2

About (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid

(1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid (PubChem CID 130971202) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid
PubChem CID130971202
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid
SMILESCC(C)[C@H]1C=CCC[C@]1(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-7(2)8-5-3-4-6-10(8,13)9(11)12/h3,5,7-8,13H,4,6H2,1-2H3,(H,11,12)/t8-,10-/m1/s1
InChIKeyKGUAKKDWFFNWKX-PSASIEDQSA-N
XLogP1.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid 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

1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 20515751
(1S,4Z,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid);(1R,4Z,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1R,4E,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid)
CID 167557842
1-[(1S,2R)-1-hydroxy-2-phenylmethoxycyclohex-3-en-1-yl]ethanone
CID 100993270
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
2-[2-[(4E)-1-methyl-6-propan-2-ylcyclooct-4-en-1-yl]-2-oxoethyl]butanedioic acid
CID 169024364
(4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid
CID 155414778
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
CID 67125631
1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
1-ethyl-2-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylic acid
CID 90177133
4,4-dihydroxy-3-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
CID 89438533
(1S,4S,4aS,8aS)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 163034278

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid (CID 130971202) is (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid is CC(C)[C@H]1C=CCC[C@]1(O)C(=O)O.
What is the InChIKey of (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is KGUAKKDWFFNWKX-PSASIEDQSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)8-5-3-4-6-10(8,13)9(11)12/h3,5,7-8,13H,4,6H2,1-2H3,(H,11,12)/t8-,10-/m1/s1.
What are the key properties of (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid?
(1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-hydroxy-2-propan-2-ylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 130971202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).