3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane

C20H34O — CID 54247080

IUPAC3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC(C2)C1COCC1C2CCC(C2)C1(C)C
InChIInChI=1S/C20H34O/c1-19(2)15-7-5-13(9-15)17(19)11-21-12-18-14-6-8-16(10-14)20(18,3)4/h13-18H,5-12H2,1-4H3
InChIKeyQUACWKHFJJTEOI-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.15
Rot. Bonds4

About 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane

3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane (PubChem CID 54247080) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
PubChem CID54247080
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC(C2)C1COCC1C2CCC(C2)C1(C)C
InChIInChI=1S/C20H34O/c1-19(2)15-7-5-13(9-15)17(19)11-21-12-18-14-6-8-16(10-14)20(18,3)4/h13-18H,5-12H2,1-4H3
InChIKeyQUACWKHFJJTEOI-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane (CID 54247080) is 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane is CC1(C)C2CCC(C2)C1COCC1C2CCC(C2)C1(C)C.
What is the InChIKey of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane?
The InChIKey is QUACWKHFJJTEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-19(2)15-7-5-13(9-15)17(19)11-21-12-18-14-6-8-16(10-14)20(18,3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane?
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane has a molecular weight of 290.49 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 54247080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).