2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate

C15H26O3 — CID 163413781

IUPAC2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC1(O)CC2CCCC1C2
InChIInChI=1S/C15H26O3/c1-14(2,3)13(16)18-8-7-15(17)10-11-5-4-6-12(15)9-11/h11-12,17H,4-10H2,1-3H3
InChIKeyACRMTNUTCFHWFQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.91
Rot. Bonds3

About 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate

2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate (PubChem CID 163413781) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate
PubChem CID163413781
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC1(O)CC2CCCC1C2
InChIInChI=1S/C15H26O3/c1-14(2,3)13(16)18-8-7-15(17)10-11-5-4-6-12(15)9-11/h11-12,17H,4-10H2,1-3H3
InChIKeyACRMTNUTCFHWFQ-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate 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

(1S,2S,4S)-2-(2-aminoethyl)bicyclo[2.2.1]heptan-2-ol
CID 124594733
ethyl 2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
CID 14958327
(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
CID 130877530
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
CID 130036822
tert-butyl 2-fluorobicyclo[2.2.1]heptane-2-carboxylate
CID 21053483
(3-chloro-3-oxopropyl) 2,2-dimethylpropanoate
CID 135073492
2-(4-oxo-1-adamantyl)ethyl 2,2-difluoropropanoate
CID 138600715
[(4S,6S)-2-(2,2-dimethylpropanoyloxymethyl)-4-hydroxy-6-(hydroxymethyl)piperidin-2-yl]methyl 2,2-dimethylpropanoate
CID 122383692
6-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hexyl 2,2-dimethylpropanoate
CID 15851152
1-(2-methoxy-2-bicyclo[2.2.1]heptanyl)butan-1-one
CID 83225937
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate (CID 163413781) is 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCC1(O)CC2CCCC1C2.
What is the InChIKey of 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate?
The InChIKey is ACRMTNUTCFHWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-14(2,3)13(16)18-8-7-15(17)10-11-5-4-6-12(15)9-11/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate?
2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate has a molecular weight of 254.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-6-bicyclo[3.2.1]octanyl)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 163413781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).