dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate

C16H26O4 — CID 14563509

IUPACdipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1C2CC(C)C(C2)C1C(=O)OC(C)C
InChIInChI=1S/C16H26O4/c1-8(2)19-15(17)13-11-6-10(5)12(7-11)14(13)16(18)20-9(3)4/h8-14H,6-7H2,1-5H3
InChIKeyWOBRYIORYXTKAW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.80
Rot. Bonds4

About dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate

dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate (PubChem CID 14563509) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
PubChem CID14563509
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namedipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1C2CC(C)C(C2)C1C(=O)OC(C)C
InChIInChI=1S/C16H26O4/c1-8(2)19-15(17)13-11-6-10(5)12(7-11)14(13)16(18)20-9(3)4/h8-14H,6-7H2,1-5H3
InChIKeyWOBRYIORYXTKAW-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate (CID 14563509) is dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate is CC(C)OC(=O)C1C2CC(C)C(C2)C1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate?
The InChIKey is WOBRYIORYXTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-8(2)19-15(17)13-11-6-10(5)12(7-11)14(13)16(18)20-9(3)4/h8-14H,6-7H2,1-5H3.
What are the key properties of dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate?
dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate is sourced from PubChem (CID 14563509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).