(1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one

C10H16O3 — CID 131862266

IUPAC(1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one
SMILESCOCO[C@@H]1C[C@@H]2CCC(=O)[C@H]1C2
InChIInChI=1S/C10H16O3/c1-12-6-13-10-5-7-2-3-9(11)8(10)4-7/h7-8,10H,2-6H2,1H3/t7-,8-,10-/m1/s1
InChIKeyLOSWVERIJGTTLG-NQMVMOMDSA-N
MW184.23 g/mol
LogP1.36
Rot. Bonds3

About (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one

(1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one (PubChem CID 131862266) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one
PubChem CID131862266
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one
SMILESCOCO[C@@H]1C[C@@H]2CCC(=O)[C@H]1C2
InChIInChI=1S/C10H16O3/c1-12-6-13-10-5-7-2-3-9(11)8(10)4-7/h7-8,10H,2-6H2,1H3/t7-,8-,10-/m1/s1
InChIKeyLOSWVERIJGTTLG-NQMVMOMDSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
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 (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one?
The IUPAC name of (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one (CID 131862266) is (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one is COCO[C@@H]1C[C@@H]2CCC(=O)[C@H]1C2.
What is the InChIKey of (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one?
The InChIKey is LOSWVERIJGTTLG-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-6-13-10-5-7-2-3-9(11)8(10)4-7/h7-8,10H,2-6H2,1H3/t7-,8-,10-/m1/s1.
What are the key properties of (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one?
(1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 131862266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).