2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane

C16H30O2 — CID 123922780

IUPAC2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane
SMILESCC.CC(C)C(=O)OC(C)(C)C1CC2CCC1C2
InChIInChI=1S/C14H24O2.C2H6/c1-9(2)13(15)16-14(3,4)12-8-10-5-6-11(12)7-10;1-2/h9-12H,5-8H2,1-4H3;1-2H3
InChIKeyCHGYYJHEWMZJLK-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.43
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane (PubChem CID 123922780) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane
PubChem CID123922780
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane
SMILESCC.CC(C)C(=O)OC(C)(C)C1CC2CCC1C2
InChIInChI=1S/C14H24O2.C2H6/c1-9(2)13(15)16-14(3,4)12-8-10-5-6-11(12)7-10;1-2/h9-12H,5-8H2,1-4H3;1-2H3
InChIKeyCHGYYJHEWMZJLK-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate
CID 59491988
[1-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-1-oxopropan-2-yl] 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
CID 130310919
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
CID 170530193
[3-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2,3-dioxopropyl] 2-methylprop-2-enoate
CID 118503786
2-(2-bicyclo[2.2.2]oct-5-enyl)propan-2-yl 2-methylpropanoate
CID 156682365
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate
CID 59782916
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate
CID 126747382
4-[2-[(4R)-2-bicyclo[2.2.1]heptanyl]propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonic acid
CID 90071111
tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;ethane
CID 91480700
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate
CID 158269161
[1-(2-bicyclo[2.2.1]heptanyl)-1-iodopropyl] acetate
CID 89484464
[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] tert-butyl carbonate
CID 21063667

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane (CID 123922780) is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane is CC.CC(C)C(=O)OC(C)(C)C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane?
The InChIKey is CHGYYJHEWMZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2.C2H6/c1-9(2)13(15)16-14(3,4)12-8-10-5-6-11(12)7-10;1-2/h9-12H,5-8H2,1-4H3;1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane?
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane has a molecular weight of 254.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane is sourced from PubChem (CID 123922780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).