1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone

C11H18O — CID 135353184

IUPAC1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CC(C)(C)C[C@@H](C)C1
InChIInChI=1S/C11H18O/c1-8-5-10(9(2)12)7-11(3,4)6-8/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyBVQXZJPMYKJDPY-QMMMGPOBSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds1

About 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone

1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone (PubChem CID 135353184) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone
PubChem CID135353184
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CC(C)(C)C[C@@H](C)C1
InChIInChI=1S/C11H18O/c1-8-5-10(9(2)12)7-11(3,4)6-8/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyBVQXZJPMYKJDPY-QMMMGPOBSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone?
The IUPAC name of 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone (CID 135353184) is 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone is CC(=O)C1=CC(C)(C)C[C@@H](C)C1.
What is the InChIKey of 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone?
The InChIKey is BVQXZJPMYKJDPY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18O/c1-8-5-10(9(2)12)7-11(3,4)6-8/h7-8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone?
1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone has a molecular weight of 166.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone is sourced from PubChem (CID 135353184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).