2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane

C12H20O2 — CID 23560965

IUPAC2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane
SMILESCC1C2CC(C3OCCO3)C(C2)C1C
InChIInChI=1S/C12H20O2/c1-7-8(2)10-5-9(7)6-11(10)12-13-3-4-14-12/h7-12H,3-6H2,1-2H3
InChIKeyXGUMHLSSVNVENA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.29
Rot. Bonds1

About 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane

2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane (PubChem CID 23560965) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane
PubChem CID23560965
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane
SMILESCC1C2CC(C3OCCO3)C(C2)C1C
InChIInChI=1S/C12H20O2/c1-7-8(2)10-5-9(7)6-11(10)12-13-3-4-14-12/h7-12H,3-6H2,1-2H3
InChIKeyXGUMHLSSVNVENA-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Norbornanone, 2-(1,3-dioxolan-2-yl)-3-methyl-, dimethyl acetal
CID 208308
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-(2,2-Dimethoxyethyl)bicyclo[2.2.1]heptane
CID 146049150
2-(2,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane
CID 20829154
2-(4-Methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl)-1,3-dioxolane
CID 21720050
2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
2-[2-(3,5-Diethyl-8-tricyclo[5.2.1.02,6]decanyl)ethyl]-2-methyl-1,3-dioxolane
CID 23561028
1,3-Dimethoxyoctahydro-4,7-methano-2-benzofuran
CID 13031344
2-[[3-(1,3-Dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol
CID 14254587
4-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one
CID 18336227
5-(1-Ethoxyethoxymethyl)-2,3-dimethylbicyclo[2.2.1]heptane
CID 20721994

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane?
The IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane (CID 23560965) is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane.
What is the SMILES notation for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane?
The canonical SMILES for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane is CC1C2CC(C3OCCO3)C(C2)C1C.
What is the InChIKey of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane?
The InChIKey is XGUMHLSSVNVENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7-8(2)10-5-9(7)6-11(10)12-13-3-4-14-12/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane?
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane is sourced from PubChem (CID 23560965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).