(1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane

C14H26O — CID 160794467

IUPAC(1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane
SMILESCC(C)C[C@@]12CCC(CC1=O)C2.CCC
InChIInChI=1S/C11H18O.C3H8/c1-8(2)6-11-4-3-9(7-11)5-10(11)12;1-3-2/h8-9H,3-7H2,1-2H3;3H2,1-2H3/t9?,11-;/m1./s1
InChIKeySCGHQXKICWGUDP-HHDUEHQLSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds2

About (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane

(1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane (PubChem CID 160794467) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane.

Molecular Properties

Compound Name(1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane
PubChem CID160794467
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane
SMILESCC(C)C[C@@]12CCC(CC1=O)C2.CCC
InChIInChI=1S/C11H18O.C3H8/c1-8(2)6-11-4-3-9(7-11)5-10(11)12;1-3-2/h8-9H,3-7H2,1-2H3;3H2,1-2H3/t9?,11-;/m1./s1
InChIKeySCGHQXKICWGUDP-HHDUEHQLSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 58860320
dihexyl-(2-oxo-1-bicyclo[2.2.1]heptanyl)sulfanium
CID 59999966
(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one
CID 121356054
3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one
CID 139987843
2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
CID 123429652
(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one
CID 102408450
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
2,2-bis(2-methylpropyl)-1,3-dioxane-4,6-dione
CID 23303482
2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
CID 123732061
5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one
CID 104687652
1-(2-methylpropyl)bicyclo[1.1.0]butane
CID 90914425
cis-(2S,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 102456019

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane?
The IUPAC name of (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane (CID 160794467) is (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane.
What is the SMILES notation for (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane?
The canonical SMILES for (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane is CC(C)C[C@@]12CCC(CC1=O)C2.CCC.
What is the InChIKey of (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane?
The InChIKey is SCGHQXKICWGUDP-HHDUEHQLSA-N. The full InChI is InChI=1S/C11H18O.C3H8/c1-8(2)6-11-4-3-9(7-11)5-10(11)12;1-3-2/h8-9H,3-7H2,1-2H3;3H2,1-2H3/t9?,11-;/m1./s1.
What are the key properties of (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane?
(1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane has a molecular weight of 210.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane is sourced from PubChem (CID 160794467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).