(1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one

C10H14O3 — CID 11252357

IUPAC(1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
SMILESCOCO[C@H]1C[C@H]2C=CC(=O)[C@@H]1C2
InChIInChI=1S/C10H14O3/c1-12-6-13-10-5-7-2-3-9(11)8(10)4-7/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,10-/m0/s1
InChIKeyUUCKHCBAPIPOLT-NRPADANISA-N
MW182.22 g/mol
LogP1.14
Rot. Bonds3

About (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one

(1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one (PubChem CID 11252357) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
PubChem CID11252357
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
SMILESCOCO[C@H]1C[C@H]2C=CC(=O)[C@@H]1C2
InChIInChI=1S/C10H14O3/c1-12-6-13-10-5-7-2-3-9(11)8(10)4-7/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,10-/m0/s1
InChIKeyUUCKHCBAPIPOLT-NRPADANISA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.14
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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Related Compounds

6-(Methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 72750642
Bicyclo[3.2.1]oct-3-en-2-one, 6-(methoxymethoxy)-, (1R,5R,6R)-
CID 11194692
(1S,5S,6S)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 11206159
(1S,5R,7R)-7-(methoxymethoxy)-4-methylbicyclo[3.2.1]oct-3-en-2-one
CID 11389972
(1S,5R,7R)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 11423947
(1R,5S,7R)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 16061532
(1S,5R,6S)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 101113721
(1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 101154380

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one (CID 11252357) is (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one is COCO[C@H]1C[C@H]2C=CC(=O)[C@@H]1C2.
What is the InChIKey of (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is UUCKHCBAPIPOLT-NRPADANISA-N. The full InChI is InChI=1S/C10H14O3/c1-12-6-13-10-5-7-2-3-9(11)8(10)4-7/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,10-/m0/s1.
What are the key properties of (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
(1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 11252357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).