1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone

C12H20O3 — CID 123363505

IUPAC1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone
SMILESCOC(O)C12CCCC(C(C)=O)(CC1)C2
InChIInChI=1S/C12H20O3/c1-9(13)11-4-3-5-12(8-11,7-6-11)10(14)15-2/h10,14H,3-8H2,1-2H3
InChIKeyUZEVMPKRVQLIMG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds3

About 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone

1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone (PubChem CID 123363505) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone.

Molecular Properties

Compound Name1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone
PubChem CID123363505
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone
SMILESCOC(O)C12CCCC(C(C)=O)(CC1)C2
InChIInChI=1S/C12H20O3/c1-9(13)11-4-3-5-12(8-11,7-6-11)10(14)15-2/h10,14H,3-8H2,1-2H3
InChIKeyUZEVMPKRVQLIMG-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone?
The IUPAC name of 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone (CID 123363505) is 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone.
What is the SMILES notation for 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone?
The canonical SMILES for 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone is COC(O)C12CCCC(C(C)=O)(CC1)C2.
What is the InChIKey of 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone?
The InChIKey is UZEVMPKRVQLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(13)11-4-3-5-12(8-11,7-6-11)10(14)15-2/h10,14H,3-8H2,1-2H3.
What are the key properties of 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone?
1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone has a molecular weight of 212.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone is sourced from PubChem (CID 123363505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).