1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane

C20H34O — CID 22992571

IUPAC1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1(C)C(OC1CC3CCC1(C)C3(C)C)C2
InChIInChI=1S/C20H34O/c1-17(2)13-7-9-19(17,5)15(11-13)21-16-12-14-8-10-20(16,6)18(14,3)4/h13-16H,7-12H2,1-6H3
InChIKeyRJQGBWYRJZOXQG-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.43
Rot. Bonds2

About 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane

1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane (PubChem CID 22992571) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane
PubChem CID22992571
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1(C)C(OC1CC3CCC1(C)C3(C)C)C2
InChIInChI=1S/C20H34O/c1-17(2)13-7-9-19(17,5)15(11-13)21-16-12-14-8-10-20(16,6)18(14,3)4/h13-16H,7-12H2,1-6H3
InChIKeyRJQGBWYRJZOXQG-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane?
The IUPAC name of 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane (CID 22992571) is 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane?
The canonical SMILES for 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane is CC1(C)C2CCC1(C)C(OC1CC3CCC1(C)C3(C)C)C2.
What is the InChIKey of 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane?
The InChIKey is RJQGBWYRJZOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-17(2)13-7-9-19(17,5)15(11-13)21-16-12-14-8-10-20(16,6)18(14,3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane?
1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane has a molecular weight of 290.49 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]bicyclo[2.2.1]heptane is sourced from PubChem (CID 22992571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).