(1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one

C10H14O3 — CID 101154380

IUPAC(1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
SMILESCOCOC1C[C@@H]2C[C@@H]1C=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/t7-,8-,10?/m0/s1
InChIKeyOLCSIHISFUEAEE-JIBHNJPVSA-N
MW182.22 g/mol
LogP1.14
Rot. Bonds3

About (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one

(1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one (PubChem CID 101154380) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
PubChem CID101154380
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
SMILESCOCOC1C[C@@H]2C[C@@H]1C=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/t7-,8-,10?/m0/s1
InChIKeyOLCSIHISFUEAEE-JIBHNJPVSA-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'}

Analyze (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one
CID 72750642
(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,5S)-5-(methoxymethoxymethyl)-7-methylidenebicyclo[3.2.1]oct-3-en-2-one
CID 101247322

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one (CID 101154380) is (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one is COCOC1C[C@@H]2C[C@@H]1C=CC2=O.
What is the InChIKey of (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is OLCSIHISFUEAEE-JIBHNJPVSA-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/t7-,8-,10?/m0/s1.
What are the key properties of (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one?
(1S,5R)-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 (1S,5R)-6-(methoxymethoxy)bicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 101154380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).