6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene

C11H18O2 — CID 139660014

IUPAC6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene
SMILESCOCC1(COC)CC2CC=C1C2
InChIInChI=1S/C11H18O2/c1-12-7-11(8-13-2)6-9-3-4-10(11)5-9/h4,9H,3,5-8H2,1-2H3
InChIKeyQXEAPIZZTGEUBK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.01
Rot. Bonds4

About 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene

6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene (PubChem CID 139660014) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene
PubChem CID139660014
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene
SMILESCOCC1(COC)CC2CC=C1C2
InChIInChI=1S/C11H18O2/c1-12-7-11(8-13-2)6-9-3-4-10(11)5-9/h4,9H,3,5-8H2,1-2H3
InChIKeyQXEAPIZZTGEUBK-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.01
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

(1S,4S,5R,6S)-5,6-bis(methoxymethyl)-2-methylbicyclo[2.2.1]hept-2-ene
CID 102388534
1-(Butoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 133053504
2,2,7,7-tetrakis(methoxymethyl)-3a-methyl-3,4,6,8-tetrahydro-1H-as-indacene
CID 134999317
2,2,7,7-Tetrakis(methoxymethyl)-1,3,3a,4,6,8-hexahydro-as-indacene
CID 135000877
5-Ethenyl-3,3-bis(methoxymethyl)-1-methylcyclohexene
CID 135060488
(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane
CID 102356670
5,5-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15360342
5-[1-Methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 19985402
[2-(Hydroxymethyl)-5-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 21404333
[2-(Hydroxymethyl)-2-bicyclo[2.2.1]hept-1(6)-enyl]methanol
CID 21715468
4-n-Octyloxymethylbicyclo[2.2.1]hept-2-ene
CID 22222983
5,5-Bis(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 57853069

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene (CID 139660014) is 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene is COCC1(COC)CC2CC=C1C2.
What is the InChIKey of 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is QXEAPIZZTGEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-12-7-11(8-13-2)6-9-3-4-10(11)5-9/h4,9H,3,5-8H2,1-2H3.
What are the key properties of 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene?
6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 182.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(methoxymethyl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 139660014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).