3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene

C14H24O2 — CID 166750167

IUPAC3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene
SMILESCOCC1CC2C=C(COC(C)(C)C)C2C1
InChIInChI=1S/C14H24O2/c1-14(2,3)16-9-12-7-11-5-10(8-15-4)6-13(11)12/h7,10-11,13H,5-6,8-9H2,1-4H3
InChIKeyAEWPPLQGZFTDSE-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.03
Rot. Bonds4

About 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene

3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene (PubChem CID 166750167) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene
PubChem CID166750167
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene
SMILESCOCC1CC2C=C(COC(C)(C)C)C2C1
InChIInChI=1S/C14H24O2/c1-14(2,3)16-9-12-7-11-5-10(8-15-4)6-13(11)12/h7,10-11,13H,5-6,8-9H2,1-4H3
InChIKeyAEWPPLQGZFTDSE-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene?
The IUPAC name of 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene (CID 166750167) is 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene is COCC1CC2C=C(COC(C)(C)C)C2C1.
What is the InChIKey of 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene?
The InChIKey is AEWPPLQGZFTDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(2,3)16-9-12-7-11-5-10(8-15-4)6-13(11)12/h7,10-11,13H,5-6,8-9H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene?
3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene has a molecular weight of 224.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 166750167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).