6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one

C10H14O3 — CID 72750642

IUPAC6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
SMILESCOCOC1CC2CC1C=CC2=O
InChIInChI=1S/C10H14O3/c1-12-6-13-10-5-8-4-7(10)2-3-9(8)11/h2-3,7-8,10H,4-6H2,1H3
InChIKeyOLCSIHISFUEAEE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.14
Rot. Bonds3

About 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one

6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one (PubChem CID 72750642) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
PubChem CID72750642
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
SMILESCOCOC1CC2CC1C=CC2=O
InChIInChI=1S/C10H14O3/c1-12-6-13-10-5-8-4-7(10)2-3-9(8)11/h2-3,7-8,10H,4-6H2,1H3
InChIKeyOLCSIHISFUEAEE-UHFFFAOYSA-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

(1R,5R)-5-(methoxymethoxymethyl)-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 10878364
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
(1R,5S,7S)-7-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 11252357
(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)-5-(methoxymethoxymethyl)-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 101145182
(1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 101154380
(1S,5S)-5-(methoxymethoxymethyl)-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 101247322

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one (CID 72750642) is 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one is COCOC1CC2CC1C=CC2=O.
What is the InChIKey of 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is OLCSIHISFUEAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-12-6-13-10-5-8-4-7(10)2-3-9(8)11/h2-3,7-8,10H,4-6H2,1H3.
What are the key properties of 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
6-(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 6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 72750642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).