2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane

C11H16O2 — CID 71331111

IUPAC2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane
SMILESCOC=C1C(=COC)C2CCC1C2
InChIInChI=1S/C11H16O2/c1-12-6-10-8-3-4-9(5-8)11(10)7-13-2/h6-9H,3-5H2,1-2H3
InChIKeyZZVIHKBMYPRWKS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.48
Rot. Bonds2

About 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane

2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane (PubChem CID 71331111) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane
PubChem CID71331111
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane
SMILESCOC=C1C(=COC)C2CCC1C2
InChIInChI=1S/C11H16O2/c1-12-6-10-8-3-4-9(5-8)11(10)7-13-2/h6-9H,3-5H2,1-2H3
InChIKeyZZVIHKBMYPRWKS-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1S,3E,4S)-3-ethylidenebicyclo[2.2.1]heptan-2-one
CID 98512036
3-(methoxymethylidene)bicyclo[3.2.1]octane
CID 154370383
dimethyl (1S,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 124541983
(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 14914547
(1S,3R,6S,8R)-tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 12649555
3,10-diethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-triene
CID 15638188
4-(methoxymethylidene)piperidine
CID 19859122
N-methoxybicyclo[3.1.1]heptan-2-imine
CID 141284498
3-(methoxymethylidene)-8-thiabicyclo[3.2.1]octane
CID 171951611
(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene
CID 101249321
7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 77387590
(3Z)-3-[(4-bromo-2-methoxyphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
CID 118610840

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane (CID 71331111) is 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane is COC=C1C(=COC)C2CCC1C2.
What is the InChIKey of 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane?
The InChIKey is ZZVIHKBMYPRWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-12-6-10-8-3-4-9(5-8)11(10)7-13-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane?
2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane has a molecular weight of 180.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxymethylidene)bicyclo[2.2.1]heptane is sourced from PubChem (CID 71331111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).