(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane

C12H22 — CID 59033980

IUPAC(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
SMILESCCC(C)[C@@]1(C)CC2CCC1C2
InChIInChI=1S/C12H22/c1-4-9(2)12(3)8-10-5-6-11(12)7-10/h9-11H,4-8H2,1-3H3/t9?,10?,11?,12-/m1/s1
InChIKeyKYAGUISATUIAID-XHUCQOSOSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds2

About (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane

(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane (PubChem CID 59033980) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
PubChem CID59033980
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
SMILESCCC(C)[C@@]1(C)CC2CCC1C2
InChIInChI=1S/C12H22/c1-4-9(2)12(3)8-10-5-6-11(12)7-10/h9-11H,4-8H2,1-3H3/t9?,10?,11?,12-/m1/s1
InChIKeyKYAGUISATUIAID-XHUCQOSOSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane?
The IUPAC name of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane (CID 59033980) is (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane?
The canonical SMILES for (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane is CCC(C)[C@@]1(C)CC2CCC1C2.
What is the InChIKey of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane?
The InChIKey is KYAGUISATUIAID-XHUCQOSOSA-N. The full InChI is InChI=1S/C12H22/c1-4-9(2)12(3)8-10-5-6-11(12)7-10/h9-11H,4-8H2,1-3H3/t9?,10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane?
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 59033980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).