1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone

C10H14O2 — CID 3681815

IUPAC1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone
SMILESCC(=O)C1=C(O)CC2C1C2(C)C
InChIInChI=1S/C10H14O2/c1-5(11)8-7(12)4-6-9(8)10(6,2)3/h6,9,12H,4H2,1-3H3
InChIKeyFBWBTJJCGGUPJP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.06
Rot. Bonds1

About 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone

1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone (PubChem CID 3681815) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone
PubChem CID3681815
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone
SMILESCC(=O)C1=C(O)CC2C1C2(C)C
InChIInChI=1S/C10H14O2/c1-5(11)8-7(12)4-6-9(8)10(6,2)3/h6,9,12H,4H2,1-3H3
InChIKeyFBWBTJJCGGUPJP-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone?
The IUPAC name of 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone (CID 3681815) is 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone?
The canonical SMILES for 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone is CC(=O)C1=C(O)CC2C1C2(C)C.
What is the InChIKey of 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone?
The InChIKey is FBWBTJJCGGUPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5(11)8-7(12)4-6-9(8)10(6,2)3/h6,9,12H,4H2,1-3H3.
What are the key properties of 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone?
1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone is sourced from PubChem (CID 3681815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).