1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone

C11H18O — CID 70191080

IUPAC1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
SMILESCC(=O)C1CC2CC2(C)C1(C)C
InChIInChI=1S/C11H18O/c1-7(12)9-5-8-6-11(8,4)10(9,2)3/h8-9H,5-6H2,1-4H3
InChIKeyUPKCARCBCOGSMO-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds1

About 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone

1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone (PubChem CID 70191080) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone.

Molecular Properties

Compound Name1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
PubChem CID70191080
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
SMILESCC(=O)C1CC2CC2(C)C1(C)C
InChIInChI=1S/C11H18O/c1-7(12)9-5-8-6-11(8,4)10(9,2)3/h8-9H,5-6H2,1-4H3
InChIKeyUPKCARCBCOGSMO-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone?
The IUPAC name of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone (CID 70191080) is 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone.
What is the SMILES notation for 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone?
The canonical SMILES for 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone is CC(=O)C1CC2CC2(C)C1(C)C.
What is the InChIKey of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone?
The InChIKey is UPKCARCBCOGSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7(12)9-5-8-6-11(8,4)10(9,2)3/h8-9H,5-6H2,1-4H3.
What are the key properties of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone?
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone has a molecular weight of 166.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone is sourced from PubChem (CID 70191080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).