4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

C10H16O2 — CID 68770857

IUPAC4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILESCC(C)C12CC(=O)C(C)(O)C1C2
InChIInChI=1S/C10H16O2/c1-6(2)10-4-7(10)9(3,12)8(11)5-10/h6-7,12H,4-5H2,1-3H3
InChIKeyQCIUNUUHBWFYTD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds1

About 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (PubChem CID 68770857) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
PubChem CID68770857
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILESCC(C)C12CC(=O)C(C)(O)C1C2
InChIInChI=1S/C10H16O2/c1-6(2)10-4-7(10)9(3,12)8(11)5-10/h6-7,12H,4-5H2,1-3H3
InChIKeyQCIUNUUHBWFYTD-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (CID 68770857) is 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one is CC(C)C12CC(=O)C(C)(O)C1C2.
What is the InChIKey of 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The InChIKey is QCIUNUUHBWFYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)10-4-7(10)9(3,12)8(11)5-10/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 68770857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).