5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene

C15H26O2 — CID 19985402

IUPAC5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene
SMILESCOCC(COC)(C(C)C)C1CC2C=CC1C2
InChIInChI=1S/C15H26O2/c1-11(2)15(9-16-3,10-17-4)14-8-12-5-6-13(14)7-12/h5-6,11-14H,7-10H2,1-4H3
InChIKeyFJNORHVWZOSHSE-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.13
Rot. Bonds6

About 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene

5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene (PubChem CID 19985402) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene
PubChem CID19985402
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene
SMILESCOCC(COC)(C(C)C)C1CC2C=CC1C2
InChIInChI=1S/C15H26O2/c1-11(2)15(9-16-3,10-17-4)14-8-12-5-6-13(14)7-12/h5-6,11-14H,7-10H2,1-4H3
InChIKeyFJNORHVWZOSHSE-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene (CID 19985402) is 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene is COCC(COC)(C(C)C)C1CC2C=CC1C2.
What is the InChIKey of 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is FJNORHVWZOSHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)15(9-16-3,10-17-4)14-8-12-5-6-13(14)7-12/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene?
5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 238.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 19985402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).