2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane

C11H20O2 — CID 146049150

IUPAC2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane
SMILESCOC(CC1CC2CCC1C2)OC
InChIInChI=1S/C11H20O2/c1-12-11(13-2)7-10-6-8-3-4-9(10)5-8/h8-11H,3-7H2,1-2H3
InChIKeyJLFVXYKUXYSLAE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.43
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane

2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane (PubChem CID 146049150) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane
PubChem CID146049150
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane
SMILESCOC(CC1CC2CCC1C2)OC
InChIInChI=1S/C11H20O2/c1-12-11(13-2)7-10-6-8-3-4-9(10)5-8/h8-11H,3-7H2,1-2H3
InChIKeyJLFVXYKUXYSLAE-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Spiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane), 2'-methyl-
CID 163546
2-(3,3-Diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
CID 103605
2-(3,3-Dimethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
CID 103606
2,3-Bis(methoxymethyl)bicyclo[2.2.1]heptane
CID 288663
(1S,3R,4R)-3-(dimethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 21608785
2-(Methoxymethyl)bicyclo[2.2.1]heptane
CID 13807638
2-Bicyclo[2.2.1]heptanylmethyl ethyl carbonate
CID 121262827
2-[2-(Ethoxymethoxy)-3,3,3-trifluoro-2-methylpropyl]bicyclo[2.2.1]heptane
CID 22976669
2-[2-(Ethoxymethoxy)-3,3,3-trifluoropropyl]bicyclo[2.2.1]heptane
CID 22976671
2-[2-(Ethoxymethoxy)-1,1,1-trifluoropropan-2-yl]bicyclo[2.2.1]heptane
CID 58205765
1-Cyclopentyl-2-(3,3-dimethoxypropyl)cyclopentane
CID 149983547
(3aS,7aR)-2-(dimethoxymethyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 11954658

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane (CID 146049150) is 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane is COC(CC1CC2CCC1C2)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane?
The InChIKey is JLFVXYKUXYSLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-12-11(13-2)7-10-6-8-3-4-9(10)5-8/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane?
2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane has a molecular weight of 184.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 146049150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).