1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene

C14H24O2 — CID 100960139

IUPAC1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene
SMILESCOCC1=C(C(C)C)C2CCCCC12OC
InChIInChI=1S/C14H24O2/c1-10(2)13-11-7-5-6-8-14(11,16-4)12(13)9-15-3/h10-11H,5-9H2,1-4H3
InChIKeyJCYWLGYELOLWEV-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.17
Rot. Bonds4

About 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene

1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene (PubChem CID 100960139) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene.

Molecular Properties

Compound Name1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene
PubChem CID100960139
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene
SMILESCOCC1=C(C(C)C)C2CCCCC12OC
InChIInChI=1S/C14H24O2/c1-10(2)13-11-7-5-6-8-14(11,16-4)12(13)9-15-3/h10-11H,5-9H2,1-4H3
InChIKeyJCYWLGYELOLWEV-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene
CID 100957877
[1-Methoxy-8-(methoxymethyl)-7-bicyclo[4.2.0]oct-7-enyl]-trimethylsilane
CID 100960137
1-Methoxy-8-(methoxymethyl)-7-methylbicyclo[4.2.0]oct-7-ene
CID 100960138
Tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
CID 100960141

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene?
The IUPAC name of 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene (CID 100960139) is 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene.
What is the SMILES notation for 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene?
The canonical SMILES for 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene is COCC1=C(C(C)C)C2CCCCC12OC.
What is the InChIKey of 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene?
The InChIKey is JCYWLGYELOLWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)13-11-7-5-6-8-14(11,16-4)12(13)9-15-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene?
1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene has a molecular weight of 224.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene is sourced from PubChem (CID 100960139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).