2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate

C15H26O2 — CID 59491988

IUPAC2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate
SMILESCCC(C)(OC(=O)C(C)C)C1CC2CCC1C2
InChIInChI=1S/C15H26O2/c1-5-15(4,17-14(16)10(2)3)13-9-11-6-7-12(13)8-11/h10-13H,5-9H2,1-4H3
InChIKeyPIMOSBXGSAWBBR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate

2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate (PubChem CID 59491988) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate
PubChem CID59491988
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate
SMILESCCC(C)(OC(=O)C(C)C)C1CC2CCC1C2
InChIInChI=1S/C15H26O2/c1-5-15(4,17-14(16)10(2)3)13-9-11-6-7-12(13)8-11/h10-13H,5-9H2,1-4H3
InChIKeyPIMOSBXGSAWBBR-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate (CID 59491988) is 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate is CCC(C)(OC(=O)C(C)C)C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate?
The InChIKey is PIMOSBXGSAWBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-15(4,17-14(16)10(2)3)13-9-11-6-7-12(13)8-11/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate?
2-(2-bicyclo[2.2.1]heptanyl)butan-2-yl 2-methylpropanoate has a molecular weight of 238.37 g/mol, XLogP of 3.79, 4 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)butan-2-yl 2-methylpropanoate is sourced from PubChem (CID 59491988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).