tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate

C23H36O4 — CID 18684353

IUPACtert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate
SMILESCC(C)(C)OC(=O)CC(OC(=O)CC1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C23H36O4/c1-23(2,3)27-22(25)13-20(19-11-15-5-7-17(19)9-15)26-21(24)12-18-10-14-4-6-16(18)8-14/h14-20H,4-13H2,1-3H3
InChIKeyDHODJYGYWBLFAP-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.89
Rot. Bonds6

About tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate

tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate (PubChem CID 18684353) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate
PubChem CID18684353
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Nametert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate
SMILESCC(C)(C)OC(=O)CC(OC(=O)CC1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C23H36O4/c1-23(2,3)27-22(25)13-20(19-11-15-5-7-17(19)9-15)26-21(24)12-18-10-14-4-6-16(18)8-14/h14-20H,4-13H2,1-3H3
InChIKeyDHODJYGYWBLFAP-UHFFFAOYSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate with MolForge

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Related Compounds

tert-butyl 3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxy-3-(2-bicyclo[2.2.1]hept-5-enyl)propanoate
CID 18684347
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
CID 105116960
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 66339070
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 116610786
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556522
5-(2-aminoethyl)-1-(2-bicyclo[2.2.1]heptanyl)-6,6-dimethylheptan-2-one
CID 116578391
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate?
The IUPAC name of tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate (CID 18684353) is tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate.
What is the SMILES notation for tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate?
The canonical SMILES for tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate is CC(C)(C)OC(=O)CC(OC(=O)CC1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate?
The InChIKey is DHODJYGYWBLFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O4/c1-23(2,3)27-22(25)13-20(19-11-15-5-7-17(19)9-15)26-21(24)12-18-10-14-4-6-16(18)8-14/h14-20H,4-13H2,1-3H3.
What are the key properties of tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate?
tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate has a molecular weight of 376.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate is sourced from PubChem (CID 18684353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).