methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate

C8H12O3 — CID 15637023

IUPACmethyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-3,6-7,9H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyIONUFSPWIUZROV-RNFRBKRXSA-N
MW156.18 g/mol
LogP0.49
Rot. Bonds1

About methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate

methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate (PubChem CID 15637023) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate
PubChem CID15637023
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-3,6-7,9H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyIONUFSPWIUZROV-RNFRBKRXSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate 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

rac-methyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
CID 10630745
1-(Methoxymethyl)cyclohex-3-ene-1-carboxylic acid
CID 130624072
(E)-3,10-Dihydroxy-4,9-dimethyldodec-6-enedioic acid
CID 129008872
2-Hydroxycyclohex-3-ene-1-carboxylic acid
CID 14090861
(-)-Trans-2-methoxycarbonylmethylcyclopent-3-en-1-ol
CID 14139042
3-Hydroxy-5,8-tetradecadienoic acid
CID 22150843
3-Hydroxy-tetradeca-5,8-dienoic acid
CID 54175740
dimethyl (1S,2R)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 57549775
6-Hydroxy-3-cyclohexene-1-carboxylic acid
CID 76225975
Ethyl 4-ethyl-3-hydroxyhept-6-enoate
CID 86646120
4-Ethyl-3-hydroxyhept-6-enoic acid
CID 86646121
(1,3,3-Trifluoro-4-hydroxybutan-2-yl) cyclohex-3-ene-1-carboxylate
CID 70995352

Frequently Asked Questions

What is the IUPAC name of methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate (CID 15637023) is methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CC=CC[C@H]1O.
What is the InChIKey of methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate?
The InChIKey is IONUFSPWIUZROV-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-3,6-7,9H,4-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate?
methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,6R)-6-hydroxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 15637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).