bicyclo[2.2.1]heptane;ethane;methoxymethane

C13H30O — CID 144913122

IUPACbicyclo[2.2.1]heptane;ethane;methoxymethane
SMILESC1CC2CCC1C2.CC.CC.COC
InChIInChI=1S/C7H12.C2H6O.2C2H6/c1-2-7-4-3-6(1)5-7;1-3-2;2*1-2/h6-7H,1-5H2;1-2H3;2*1-2H3
InChIKeyUXBPHFJJKIQNIQ-UHFFFAOYSA-N
MW202.38 g/mol
LogP4.51
Rot. Bonds

About bicyclo[2.2.1]heptane;ethane;methoxymethane

bicyclo[2.2.1]heptane;ethane;methoxymethane (PubChem CID 144913122) has the molecular formula C13H30O and a molecular weight of 202.38 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;ethane;methoxymethane.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;ethane;methoxymethane
PubChem CID144913122
Molecular FormulaC13H30O
Molecular Weight202.38 g/mol
Exact Mass202.23
IUPAC Namebicyclo[2.2.1]heptane;ethane;methoxymethane
SMILESC1CC2CCC1C2.CC.CC.COC
InChIInChI=1S/C7H12.C2H6O.2C2H6/c1-2-7-4-3-6(1)5-7;1-3-2;2*1-2/h6-7H,1-5H2;1-2H3;2*1-2H3
InChIKeyUXBPHFJJKIQNIQ-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;ethane;methoxymethane?
The IUPAC name of bicyclo[2.2.1]heptane;ethane;methoxymethane (CID 144913122) is bicyclo[2.2.1]heptane;ethane;methoxymethane.
What is the SMILES notation for bicyclo[2.2.1]heptane;ethane;methoxymethane?
The canonical SMILES for bicyclo[2.2.1]heptane;ethane;methoxymethane is C1CC2CCC1C2.CC.CC.COC.
What is the InChIKey of bicyclo[2.2.1]heptane;ethane;methoxymethane?
The InChIKey is UXBPHFJJKIQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C2H6O.2C2H6/c1-2-7-4-3-6(1)5-7;1-3-2;2*1-2/h6-7H,1-5H2;1-2H3;2*1-2H3.
What are the key properties of bicyclo[2.2.1]heptane;ethane;methoxymethane?
bicyclo[2.2.1]heptane;ethane;methoxymethane has a molecular weight of 202.38 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;ethane;methoxymethane is sourced from PubChem (CID 144913122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).