(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid

C13H18O3 — CID 162985065

IUPAC(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
SMILESC=C1CC[C@@H]2C[C@@H]2/C=C(\C(=O)O)CC[C@@H]1O
InChIInChI=1S/C13H18O3/c1-8-2-3-9-6-11(9)7-10(13(15)16)4-5-12(8)14/h7,9,11-12,14H,1-6H2,(H,15,16)/b10-7-/t9-,11-,12+/m1/s1
InChIKeyMCHOUIJOPUPQRU-SCTUNWTFSA-N
MW222.28 g/mol
LogP2.12
Rot. Bonds1

About (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid

(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid (PubChem CID 162985065) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
PubChem CID162985065
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
SMILESC=C1CC[C@@H]2C[C@@H]2/C=C(\C(=O)O)CC[C@@H]1O
InChIInChI=1S/C13H18O3/c1-8-2-3-9-6-11(9)7-10(13(15)16)4-5-12(8)14/h7,9,11-12,14H,1-6H2,(H,15,16)/b10-7-/t9-,11-,12+/m1/s1
InChIKeyMCHOUIJOPUPQRU-SCTUNWTFSA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-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

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
The IUPAC name of (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid (CID 162985065) is (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid.
What is the SMILES notation for (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
The canonical SMILES for (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid is C=C1CC[C@@H]2C[C@@H]2/C=C(\C(=O)O)CC[C@@H]1O.
What is the InChIKey of (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
The InChIKey is MCHOUIJOPUPQRU-SCTUNWTFSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-2-3-9-6-11(9)7-10(13(15)16)4-5-12(8)14/h7,9,11-12,14H,1-6H2,(H,15,16)/b10-7-/t9-,11-,12+/m1/s1.
What are the key properties of (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid has a molecular weight of 222.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid is sourced from PubChem (CID 162985065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).