[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate

C22H34O4 — CID 20608194

IUPAC[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate
SMILESCCC1CC(CC)C2C3CC(CC3C(OC(C)=O)C3CCCOC3=O)C12
InChIInChI=1S/C22H34O4/c1-4-13-9-14(5-2)20-17-10-15(19(13)20)11-18(17)21(26-12(3)23)16-7-6-8-25-22(16)24/h13-21H,4-11H2,1-3H3
InChIKeyMTXQFECRJZSBSU-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.22
Rot. Bonds5

About [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate

[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate (PubChem CID 20608194) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate.

Molecular Properties

Compound Name[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate
PubChem CID20608194
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate
SMILESCCC1CC(CC)C2C3CC(CC3C(OC(C)=O)C3CCCOC3=O)C12
InChIInChI=1S/C22H34O4/c1-4-13-9-14(5-2)20-17-10-15(19(13)20)11-18(17)21(26-12(3)23)16-7-6-8-25-22(16)24/h13-21H,4-11H2,1-3H3
InChIKeyMTXQFECRJZSBSU-UHFFFAOYSA-N
XLogP4.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-(2-Bicyclo[2.2.1]heptanyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate
CID 18684324
2-Cyclohexylpropan-2-yl 3-acetyloxy-3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 20587133
(1-Cyclohexylcyclopentyl) 3-acetyloxy-3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 20587134
3-Methylpentan-3-yl 3-acetyloxy-3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 20587135
(1-Ethylcyclopentyl) 3-acetyloxy-3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 20587136
2-(2-Bicyclo[2.2.1]heptanyl)propan-2-yl 3-acetyloxy-3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 20587137
Tert-butyl 3-acetyloxy-3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propanoate
CID 20587139
(1-Ethylcyclopentyl) 3-acetyloxy-3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propanoate
CID 20587141
3-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-hydroxymethyl]oxan-2-one
CID 20608176
[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] 2,2,2-trichloroacetate
CID 20608180
[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] acetate
CID 20608181
[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate
CID 20608182

Frequently Asked Questions

What is the IUPAC name of [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate?
The IUPAC name of [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate (CID 20608194) is [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate.
What is the SMILES notation for [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate?
The canonical SMILES for [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate is CCC1CC(CC)C2C3CC(CC3C(OC(C)=O)C3CCCOC3=O)C12.
What is the InChIKey of [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate?
The InChIKey is MTXQFECRJZSBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-4-13-9-14(5-2)20-17-10-15(19(13)20)11-18(17)21(26-12(3)23)16-7-6-8-25-22(16)24/h13-21H,4-11H2,1-3H3.
What are the key properties of [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate?
[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate has a molecular weight of 362.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate is sourced from PubChem (CID 20608194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).