bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane

C11H18O2 — CID 86613232

IUPACbicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane
SMILESC1=CC2CCC1C2.COCC1CO1
InChIInChI=1S/C7H10.C4H8O2/c1-2-7-4-3-6(1)5-7;1-5-2-4-3-6-4/h1-2,6-7H,3-5H2;4H,2-3H2,1H3
InChIKeyWWMXIWOJVFCAOO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.00
Rot. Bonds2

About bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane

bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane (PubChem CID 86613232) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane
PubChem CID86613232
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namebicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane
SMILESC1=CC2CCC1C2.COCC1CO1
InChIInChI=1S/C7H10.C4H8O2/c1-2-7-4-3-6(1)5-7;1-5-2-4-3-6-4/h1-2,6-7H,3-5H2;4H,2-3H2,1H3
InChIKeyWWMXIWOJVFCAOO-UHFFFAOYSA-N
XLogP2.00
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]hept-2-ene;1-butylbicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane
CID 86613231
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
diiodovanadium;2-(methoxymethyl)oxirane
CID 158509470
dimethoxysilane;2-(methoxymethyl)oxirane
CID 175354723
2-(methoxymethyl)oxirane;trimethoxysilane
CID 173003709
bis(2-(methoxymethyl)oxirane);naphthalene
CID 90795590
bicyclo[2.2.1]hept-2-ene;2-methoxyethyl acetate
CID 66605117
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
(2S,4R)-2-(methoxymethyl)-4-methyloxolane
CID 146559112
2,5-bis(methoxymethyl)oxolane
CID 57041378

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane (CID 86613232) is bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane is C1=CC2CCC1C2.COCC1CO1.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane?
The InChIKey is WWMXIWOJVFCAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C4H8O2/c1-2-7-4-3-6(1)5-7;1-5-2-4-3-6-4/h1-2,6-7H,3-5H2;4H,2-3H2,1H3.
What are the key properties of bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane?
bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane has a molecular weight of 182.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane is sourced from PubChem (CID 86613232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).