3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane

C105H196O16 — CID 159643259

IUPAC3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane
SMILESC.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C3CC(CC3C(C)C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)O)OC(C)=O)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)O)OC3CCCCO3)C12.CCC1CC(CC)C2C3CC(CC3CC(C)(O)CC(=O)O)C12.CCC1CC(CC)C2C3CC(CC3CC(O)CC(=O)O)C12
InChIInChI=1S/C22H36O4.C19H30O4.C19H32O3.C18H30O3.C17H28O2.10CH4/c1-3-13-9-14(4-2)22-17-11-15(21(13)22)10-16(17)18(12-19(23)24)26-20-7-5-6-8-25-20;1-4-11-6-12(5-2)19-15-8-13(18(11)19)7-14(15)16(9-17(21)22)23-10(3)20;1-4-11-6-12(5-2)18-15-8-13(17(11)18)7-14(15)9-19(3,22)10-16(20)21;1-3-10-5-11(4-2)18-15-8-13(17(10)18)6-12(15)7-14(19)9-16(20)21;1-4-10-6-11(5-2)16-14-8-12(15(10)16)7-13(14)9(3)17(18)19;;;;;;;;;;/h13-18,20-22H,3-12H2,1-2H3,(H,23,24);11-16,18-19H,4-9H2,1-3H3,(H,21,22);11-15,17-18,22H,4-10H2,1-3H3,(H,20,21);10-15,17-19H,3-9H2,1-2H3,(H,20,21);9-16H,4-8H2,1-3H3,(H,18,19);10*1H4
InChIKeyMQQBGQXFXBRQMW-UHFFFAOYSA-N
MW1714.71 g/mol
LogP26.37
Rot. Bonds29

About 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane

3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane (PubChem CID 159643259) has the molecular formula C105H196O16 and a molecular weight of 1714.71 g/mol. Its IUPAC name is 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane.

Molecular Properties

Compound Name3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane
PubChem CID159643259
Molecular FormulaC105H196O16
Molecular Weight1714.71 g/mol
Exact Mass1713.45
IUPAC Name3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane
SMILESC.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C3CC(CC3C(C)C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)O)OC(C)=O)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)O)OC3CCCCO3)C12.CCC1CC(CC)C2C3CC(CC3CC(C)(O)CC(=O)O)C12.CCC1CC(CC)C2C3CC(CC3CC(O)CC(=O)O)C12
InChIInChI=1S/C22H36O4.C19H30O4.C19H32O3.C18H30O3.C17H28O2.10CH4/c1-3-13-9-14(4-2)22-17-11-15(21(13)22)10-16(17)18(12-19(23)24)26-20-7-5-6-8-25-20;1-4-11-6-12(5-2)19-15-8-13(18(11)19)7-14(15)16(9-17(21)22)23-10(3)20;1-4-11-6-12(5-2)18-15-8-13(17(11)18)7-14(15)9-19(3,22)10-16(20)21;1-3-10-5-11(4-2)18-15-8-13(17(10)18)6-12(15)7-14(19)9-16(20)21;1-4-10-6-11(5-2)16-14-8-12(15(10)16)7-13(14)9(3)17(18)19;;;;;;;;;;/h13-18,20-22H,3-12H2,1-2H3,(H,23,24);11-16,18-19H,4-9H2,1-3H3,(H,21,22);11-15,17-18,22H,4-10H2,1-3H3,(H,20,21);10-15,17-19H,3-9H2,1-2H3,(H,20,21);9-16H,4-8H2,1-3H3,(H,18,19);10*1H4
InChIKeyMQQBGQXFXBRQMW-UHFFFAOYSA-N
XLogP26.37
TPSA271.72 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001714.71
LogP ≤ 526.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane with MolForge

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Related Compounds

3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoic acid;2,5-diethyl-3-methyloxolane-3-carboxylic acid;2,5-diethyl-4-methyloxolane-3-carboxylic acid;3-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoic acid;4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoic acid;4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoic acid;3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoic acid
CID 158327444
tert-butyl 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoate
CID 23554153
(1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane
CID 161219300
tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
CID 160828018
propan-2-yl 3-acetyloxy-3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propanoate
CID 126749501
7-oxabicyclo[2.2.1]heptan-2-ylmethyl 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(oxan-2-yloxy)propanoate
CID 59912501
3-(oxan-2-yloxy)butanoic acid
CID 14279636
[1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-5-methoxypentan-2-yl] acetate;[1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-5-methoxypentyl] acetate
CID 161166810
2-(oxan-2-yloxy)propanoic acid
CID 542280
3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one
CID 20608193
(E)-5-(oxan-2-yloxy)-4-oxohex-2-enoic acid
CID 10823217
2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate
CID 158921117

Frequently Asked Questions

What is the IUPAC name of 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane?
The IUPAC name of 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane (CID 159643259) is 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane.
What is the SMILES notation for 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane?
The canonical SMILES for 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane is C.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C3CC(CC3C(C)C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)O)OC(C)=O)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)O)OC3CCCCO3)C12.CCC1CC(CC)C2C3CC(CC3CC(C)(O)CC(=O)O)C12.CCC1CC(CC)C2C3CC(CC3CC(O)CC(=O)O)C12.
What is the InChIKey of 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane?
The InChIKey is MQQBGQXFXBRQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O4.C19H30O4.C19H32O3.C18H30O3.C17H28O2.10CH4/c1-3-13-9-14(4-2)22-17-11-15(21(13)22)10-16(17)18(12-19(23)24)26-20-7-5-6-8-25-20;1-4-11-6-12(5-2)19-15-8-13(18(11)19)7-14(15)16(9-17(21)22)23-10(3)20;1-4-11-6-12(5-2)18-15-8-13(17(11)18)7-14(15)9-19(3,22)10-16(20)21;1-3-10-5-11(4-2)18-15-8-13(17(10)18)6-12(15)7-14(19)9-16(20)21;1-4-10-6-11(5-2)16-14-8-12(15(10)16)7-13(14)9(3)17(18)19;;;;;;;;;;/h13-18,20-22H,3-12H2,1-2H3,(H,23,24);11-16,18-19H,4-9H2,1-3H3,(H,21,22);11-15,17-18,22H,4-10H2,1-3H3,(H,20,21);10-15,17-19H,3-9H2,1-2H3,(H,20,21);9-16H,4-8H2,1-3H3,(H,18,19);10*1H4.
What are the key properties of 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane?
3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane has a molecular weight of 1714.71 g/mol, XLogP of 26.37, 29 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid;4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxy-3-methylbutanoic acid;3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-(oxan-2-yloxy)propanoic acid;2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoic acid;methane is sourced from PubChem (CID 159643259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).