benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate

C14H16O3 — CID 11356711

IUPACbenzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C14H16O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-6,8,12-13,15H,7,9-10H2/t12-,13+/m1/s1
InChIKeyMASOGEATLZULEI-OLZOCXBDSA-N
MW232.28 g/mol
LogP2.06
Rot. Bonds3

About benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate

benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate (PubChem CID 11356711) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namebenzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
PubChem CID11356711
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namebenzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C14H16O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-6,8,12-13,15H,7,9-10H2/t12-,13+/m1/s1
InChIKeyMASOGEATLZULEI-OLZOCXBDSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl (1R,5R)-5-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

dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
CID 86334449
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
benzyl (1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carboxylate
CID 134979924
(1S,2R)-2-phenylmethoxycarbonylcyclopent-3-ene-1-carboxylic acid
CID 122382706
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
2-(3-phenylmethoxycarbonylcyclobutyl)acetic acid
CID 170907534
benzyl 3-(fluoromethyl)cyclobutane-1-carboxylate
CID 90205162
(1S,5S)-5-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 167725622
(1R,5S)-5-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 165466319

Frequently Asked Questions

What is the IUPAC name of benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate?
The IUPAC name of benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate (CID 11356711) is benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate is O=C(OCc1ccccc1)[C@@H]1CC=C[C@H](O)C1.
What is the InChIKey of benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate?
The InChIKey is MASOGEATLZULEI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-6,8,12-13,15H,7,9-10H2/t12-,13+/m1/s1.
What are the key properties of benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate?
benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 11356711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).