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

C10H16O2 — CID 90994730

IUPAC3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one
SMILESCC1C(O)C(=O)C2(C(C)C)CC12
InChIInChI=1S/C10H16O2/c1-5(2)10-4-7(10)6(3)8(11)9(10)12/h5-8,11H,4H2,1-3H3
InChIKeyCRMQFFRVKMRQBD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.23
Rot. Bonds1

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

3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one (PubChem CID 90994730) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one
PubChem CID90994730
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one
SMILESCC1C(O)C(=O)C2(C(C)C)CC12
InChIInChI=1S/C10H16O2/c1-5(2)10-4-7(10)6(3)8(11)9(10)12/h5-8,11H,4H2,1-3H3
InChIKeyCRMQFFRVKMRQBD-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one (CID 90994730) is 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one is CC1C(O)C(=O)C2(C(C)C)CC12.
What is the InChIKey of 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one?
The InChIKey is CRMQFFRVKMRQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5(2)10-4-7(10)6(3)8(11)9(10)12/h5-8,11H,4H2,1-3H3.
What are the key properties of 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one?
3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 90994730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).