4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene

C11H16O2 — CID 89010229

IUPAC4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene
SMILESC=C1C2CC1C(OCOC)C=C2C
InChIInChI=1S/C11H16O2/c1-7-4-11(13-6-12-3)10-5-9(7)8(10)2/h4,9-11H,2,5-6H2,1,3H3
InChIKeyPTEWVVJQRTVYQS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.13
Rot. Bonds3

About 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene

4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene (PubChem CID 89010229) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene
PubChem CID89010229
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene
SMILESC=C1C2CC1C(OCOC)C=C2C
InChIInChI=1S/C11H16O2/c1-7-4-11(13-6-12-3)10-5-9(7)8(10)2/h4,9-11H,2,5-6H2,1,3H3
InChIKeyPTEWVVJQRTVYQS-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene?
The IUPAC name of 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene (CID 89010229) is 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene?
The canonical SMILES for 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene is C=C1C2CC1C(OCOC)C=C2C.
What is the InChIKey of 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene?
The InChIKey is PTEWVVJQRTVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-4-11(13-6-12-3)10-5-9(7)8(10)2/h4,9-11H,2,5-6H2,1,3H3.
What are the key properties of 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene?
4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene has a molecular weight of 180.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2-methyl-6-methylidenebicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 89010229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).