(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one

C11H18O — CID 130612042

IUPAC(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
SMILESC[C@@H]1CC2CC(CC1=O)C2(C)C
InChIInChI=1S/C11H18O/c1-7-4-8-5-9(6-10(7)12)11(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyUDWAYCNUKUCOPI-AFPNSQJFSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one

(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one (PubChem CID 130612042) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one.

Molecular Properties

Compound Name(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
PubChem CID130612042
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
SMILESC[C@@H]1CC2CC(CC1=O)C2(C)C
InChIInChI=1S/C11H18O/c1-7-4-8-5-9(6-10(7)12)11(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyUDWAYCNUKUCOPI-AFPNSQJFSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one?
The IUPAC name of (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one (CID 130612042) is (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one.
What is the SMILES notation for (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one?
The canonical SMILES for (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one is C[C@@H]1CC2CC(CC1=O)C2(C)C.
What is the InChIKey of (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one?
The InChIKey is UDWAYCNUKUCOPI-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H18O/c1-7-4-8-5-9(6-10(7)12)11(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m1/s1.
What are the key properties of (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one?
(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one has a molecular weight of 166.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one is sourced from PubChem (CID 130612042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).