(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C20H32O2 — CID 20681907

IUPAC(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OC3(C(C)C)CC4CCC3C4)C(C2)C1C
InChIInChI=1S/C20H32O2/c1-11(2)20(10-14-5-6-16(20)7-14)22-19(21)18-9-15-8-17(18)13(4)12(15)3/h11-18H,5-10H2,1-4H3
InChIKeyVVNARPYFQTXQQQ-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.67
Rot. Bonds3

About (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 20681907) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID20681907
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OC3(C(C)C)CC4CCC3C4)C(C2)C1C
InChIInChI=1S/C20H32O2/c1-11(2)20(10-14-5-6-16(20)7-14)22-19(21)18-9-15-8-17(18)13(4)12(15)3/h11-18H,5-10H2,1-4H3
InChIKeyVVNARPYFQTXQQQ-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

(2-propan-2-yl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 126726910
2-methyl-3-oxo-3-[(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl)oxy]propanoic acid
CID 170442808
(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 159326494
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 91144013
2-hydroxypropyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methane
CID 162025436
3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 90764380
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 90901644
[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate
CID 134285849
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 134309639
3-hydroxypropyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 59366082
2-methylbutan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336244
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 20681907) is (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)OC3(C(C)C)CC4CCC3C4)C(C2)C1C.
What is the InChIKey of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is VVNARPYFQTXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-11(2)20(10-14-5-6-16(20)7-14)22-19(21)18-9-15-8-17(18)13(4)12(15)3/h11-18H,5-10H2,1-4H3.
What are the key properties of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 304.47 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 20681907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).