(1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene

C9H14O2 — CID 101216179

IUPAC(1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCOCO[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H14O2/c1-10-6-11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyVPGUPIAJSYLNLF-YIZRAAEISA-N
MW154.21 g/mol
LogP1.57
Rot. Bonds3

About (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene

(1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 101216179) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID101216179
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCOCO[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H14O2/c1-10-6-11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyVPGUPIAJSYLNLF-YIZRAAEISA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene 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

5-propoxybicyclo[2.2.1]hept-2-ene
CID 22754180
(5S)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]bicyclo[2.2.1]hept-2-ene
CID 59080048
(1S,4R,5S)-5-[[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
CID 102508315
[2-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] tert-butyl carbonate;5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]bicyclo[2.2.1]hept-2-ene
CID 161134784
5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 91468107
2-bicyclo[2.2.1]hept-5-enyl methyl carbonate
CID 19379180
5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036
CID 177443621
CID 177443621
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 58241645
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
CID 158426911

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene (CID 101216179) is (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene is COCO[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is VPGUPIAJSYLNLF-YIZRAAEISA-N. The full InChI is InChI=1S/C9H14O2/c1-10-6-11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
(1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 154.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 101216179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).