4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate

C14H20O3 — CID 67964667

IUPAC4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
SMILESO=C(CO)OC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H20O3/c15-6-12(16)17-11-5-9-4-10(11)14-8-2-1-7(3-8)13(9)14/h7-11,13-15H,1-6H2
InChIKeyIJVAKSHNMWEBKR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.59
Rot. Bonds2

About 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate

4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate (PubChem CID 67964667) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate.

Molecular Properties

Compound Name4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
PubChem CID67964667
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
SMILESO=C(CO)OC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H20O3/c15-6-12(16)17-11-5-9-4-10(11)14-8-2-1-7(3-8)13(9)14/h7-11,13-15H,1-6H2
InChIKeyIJVAKSHNMWEBKR-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate 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 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate?
The IUPAC name of 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate (CID 67964667) is 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate.
What is the SMILES notation for 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate?
The canonical SMILES for 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate is O=C(CO)OC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate?
The InChIKey is IJVAKSHNMWEBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-6-12(16)17-11-5-9-4-10(11)14-8-2-1-7(3-8)13(9)14/h7-11,13-15H,1-6H2.
What are the key properties of 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate?
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate has a molecular weight of 236.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate is sourced from PubChem (CID 67964667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).