(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate

C24H38O3 — CID 18336233

IUPAC(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
SMILESCCC1(OC(=O)CC(O)C2CC3CC2C(C)C3C)CC2CC1C1CCCC21
InChIInChI=1S/C24H38O3/c1-4-24(12-16-10-21(24)18-7-5-6-17(16)18)27-23(26)11-22(25)20-9-15-8-19(20)14(3)13(15)2/h13-22,25H,4-12H2,1-3H3
InChIKeyFTPWLFVGOCKWGP-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.81
Rot. Bonds5

About (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate

(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate (PubChem CID 18336233) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate.

Molecular Properties

Compound Name(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
PubChem CID18336233
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
SMILESCCC1(OC(=O)CC(O)C2CC3CC2C(C)C3C)CC2CC1C1CCCC21
InChIInChI=1S/C24H38O3/c1-4-24(12-16-10-21(24)18-7-5-6-17(16)18)27-23(26)11-22(25)20-9-15-8-19(20)14(3)13(15)2/h13-22,25H,4-12H2,1-3H3
InChIKeyFTPWLFVGOCKWGP-UHFFFAOYSA-N
XLogP4.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 12-hydroxy-13-methyloctacyclo[9.8.0.02,14.03,10.04,13.05,9.06,12.015,19]nonadecane-11-carboxylate
CID 12933644
Tert-butyl 9,10-dihydroxytetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 15538967
(2-Ethyl-2-bicyclo[2.2.1]heptanyl) 2-(1'-hydroxy-5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-cyclopentane]-1'-yl)acetate
CID 18336216
(2-Ethyl-2-bicyclo[2.2.1]heptanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxybutanoate
CID 18336218
(2-Ethyl-2-bicyclo[2.2.1]heptanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
CID 18336219
(2-Ethyl-2-bicyclo[2.2.1]heptanyl) 3-hydroxy-3-(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 18336222
(2-Ethyl-2-bicyclo[2.2.1]heptanyl) 3-hydroxy-3-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 18336223
(2-Ethyl-2-bicyclo[2.2.1]heptanyl) 4-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxybutanoate
CID 18336224
(2-Ethyl-2-adamantyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
CID 18336232
(2-Ethyl-2-bicyclo[2.2.1]heptanyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
CID 18336234
(1-Ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
CID 18336236
(1-Ethylcyclohexyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
CID 18336237

Frequently Asked Questions

What is the IUPAC name of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
The IUPAC name of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate (CID 18336233) is (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate.
What is the SMILES notation for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
The canonical SMILES for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate is CCC1(OC(=O)CC(O)C2CC3CC2C(C)C3C)CC2CC1C1CCCC21.
What is the InChIKey of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
The InChIKey is FTPWLFVGOCKWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O3/c1-4-24(12-16-10-21(24)18-7-5-6-17(16)18)27-23(26)11-22(25)20-9-15-8-19(20)14(3)13(15)2/h13-22,25H,4-12H2,1-3H3.
What are the key properties of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate has a molecular weight of 374.57 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate is sourced from PubChem (CID 18336233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).