(1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate

C24H38O3 — CID 18336236

IUPAC(1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
SMILESCCC1(OC(=O)CC(O)C2CC3CC2C2C4CC(C(C)C4C)C32)CCCC1
InChIInChI=1S/C24H38O3/c1-4-24(7-5-6-8-24)27-21(26)12-20(25)18-9-15-10-19(18)23-17-11-16(22(15)23)13(2)14(17)3/h13-20,22-23,25H,4-12H2,1-3H3
InChIKeyDRCFTYXGMYXZTB-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.81
Rot. Bonds5

About (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate

(1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate (PubChem CID 18336236) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
PubChem CID18336236
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name(1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
SMILESCCC1(OC(=O)CC(O)C2CC3CC2C2C4CC(C(C)C4C)C32)CCCC1
InChIInChI=1S/C24H38O3/c1-4-24(7-5-6-8-24)27-21(26)12-20(25)18-9-15-10-19(18)23-17-11-16(22(15)23)13(2)14(17)3/h13-20,22-23,25H,4-12H2,1-3H3
InChIKeyDRCFTYXGMYXZTB-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

Computed Properties (RDKit)

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

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Related Compounds

(5,5,5-Trifluoro-4-hydroxy-4-methylpentan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 58640840
[5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 58861680
2-[(4,5-Dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;(3-methoxy-3-oxopropyl) 4,5-dimethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 91162035
[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] 2,2,2-trifluoroacetate;3-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-hydroxymethyl]oxolan-2-one
CID 91598192
2-[(4,5-Dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;(3-methoxy-3-oxopropyl) 4,5-dimethyltricyclo[5.2.1.02,6]decane-8-carboxylate;methyl 3-acetyloxy-3-(4,5-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate
CID 159662695
(1-Cyclohexylcyclopentyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxybutanoate
CID 18336201
(1-Ethylcyclohexyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
CID 18336204
(1-Ethylcyclopentyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
CID 18336206
(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

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate?
The IUPAC name of (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate (CID 18336236) is (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate?
The canonical SMILES for (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate is CCC1(OC(=O)CC(O)C2CC3CC2C2C4CC(C(C)C4C)C32)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate?
The InChIKey is DRCFTYXGMYXZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O3/c1-4-24(7-5-6-8-24)27-21(26)12-20(25)18-9-15-10-19(18)23-17-11-16(22(15)23)13(2)14(17)3/h13-20,22-23,25H,4-12H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate?
(1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-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 (1-ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate is sourced from PubChem (CID 18336236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).