2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane

C12H20O2 — CID 126625635

IUPAC2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane
SMILESCC1CC2CC1CC2COCC1CO1
InChIInChI=1S/C12H20O2/c1-8-2-10-3-9(8)4-11(10)5-13-6-12-7-14-12/h8-12H,2-7H2,1H3
InChIKeyXAYHDVUATZGKJM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.08
Rot. Bonds4

About 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane

2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane (PubChem CID 126625635) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane
PubChem CID126625635
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane
SMILESCC1CC2CC1CC2COCC1CO1
InChIInChI=1S/C12H20O2/c1-8-2-10-3-9(8)4-11(10)5-13-6-12-7-14-12/h8-12H,2-7H2,1H3
InChIKeyXAYHDVUATZGKJM-UHFFFAOYSA-N
XLogP2.08
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol
CID 87173787
2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane
CID 89184934
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
4-(oxiran-2-ylmethoxymethyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane
CID 22957073
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane?
The IUPAC name of 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane (CID 126625635) is 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane is CC1CC2CC1CC2COCC1CO1.
What is the InChIKey of 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane?
The InChIKey is XAYHDVUATZGKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-2-10-3-9(8)4-11(10)5-13-6-12-7-14-12/h8-12H,2-7H2,1H3.
What are the key properties of 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane?
2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane has a molecular weight of 196.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane is sourced from PubChem (CID 126625635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).