6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene

C14H24O2 — CID 100957907

IUPAC6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C(C)(C)C)C2CCCC12OC
InChIInChI=1S/C14H24O2/c1-13(2,3)12-10-7-6-8-14(10,16-5)11(12)9-15-4/h10H,6-9H2,1-5H3
InChIKeyLWIZMDPLKYZGDQ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.17
Rot. Bonds3

About 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene

6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene (PubChem CID 100957907) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene
PubChem CID100957907
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C(C)(C)C)C2CCCC12OC
InChIInChI=1S/C14H24O2/c1-13(2,3)12-10-7-6-8-14(10,16-5)11(12)9-15-4/h10H,6-9H2,1-5H3
InChIKeyLWIZMDPLKYZGDQ-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

(1R,5S)-6,7-bis(methoxymethyl)bicyclo[3.2.0]hept-6-ene
CID 101502254
1-Tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene
CID 100957878
[1-Methoxy-7-(methoxymethyl)-6-bicyclo[3.2.0]hept-6-enyl]-trimethylsilane
CID 100957904
1-Methoxy-7-(methoxymethyl)-6-methylbicyclo[3.2.0]hept-6-ene
CID 100957905
1-Methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene
CID 100957906

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene?
The IUPAC name of 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene (CID 100957907) is 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene is COCC1=C(C(C)(C)C)C2CCCC12OC.
What is the InChIKey of 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene?
The InChIKey is LWIZMDPLKYZGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(2,3)12-10-7-6-8-14(10,16-5)11(12)9-15-4/h10H,6-9H2,1-5H3.
What are the key properties of 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene?
6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene has a molecular weight of 224.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 100957907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).