3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one

C20H32O3 — CID 20608193

IUPAC3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one
SMILESCCC1CC(CC)C2C3CC(CC3C(O)C3CCCOC3=O)C12
InChIInChI=1S/C20H32O3/c1-3-11-8-12(4-2)18-15-9-13(17(11)18)10-16(15)19(21)14-6-5-7-23-20(14)22/h11-19,21H,3-10H2,1-2H3
InChIKeyQTTKPPXBBPQGOW-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.64
Rot. Bonds4

About 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one

3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one (PubChem CID 20608193) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one.

Molecular Properties

Compound Name3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one
PubChem CID20608193
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one
SMILESCCC1CC(CC)C2C3CC(CC3C(O)C3CCCOC3=O)C12
InChIInChI=1S/C20H32O3/c1-3-11-8-12(4-2)18-15-9-13(17(11)18)10-16(15)19(21)14-6-5-7-23-20(14)22/h11-19,21H,3-10H2,1-2H3
InChIKeyQTTKPPXBBPQGOW-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one 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

(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 54475485
oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane
CID 90833254
(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol
CID 70999175
[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-(2-oxooxan-3-yl)methyl] acetate
CID 20608184
3-(1-hydroxyethyl)oxepan-2-one
CID 130122334
(4,4-dimethyl-2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 54545857
4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid
CID 21351625
actinium;3-[1-hydroxy-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl]oxolan-2-one
CID 18345699
3-ethyloxepan-2-one
CID 22116783
tert-butyl 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoate
CID 23554153
3-[(Z)-pent-2-enyl]oxan-2-one
CID 67243802
3-butanethioyloxan-2-one
CID 134985858

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one?
The IUPAC name of 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one (CID 20608193) is 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one.
What is the SMILES notation for 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one?
The canonical SMILES for 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one is CCC1CC(CC)C2C3CC(CC3C(O)C3CCCOC3=O)C12.
What is the InChIKey of 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one?
The InChIKey is QTTKPPXBBPQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-3-11-8-12(4-2)18-15-9-13(17(11)18)10-16(15)19(21)14-6-5-7-23-20(14)22/h11-19,21H,3-10H2,1-2H3.
What are the key properties of 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one?
3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one has a molecular weight of 320.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one is sourced from PubChem (CID 20608193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).