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

C13H22O2 — CID 23560967

IUPAC2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane
SMILESCC1C2CC(CC3OCCO3)C(C2)C1C
InChIInChI=1S/C13H22O2/c1-8-9(2)12-6-10(8)5-11(12)7-13-14-3-4-15-13/h8-13H,3-7H2,1-2H3
InChIKeyHCUXBBRJMGAVTH-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.68
Rot. Bonds2

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

2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane (PubChem CID 23560967) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane
PubChem CID23560967
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane
SMILESCC1C2CC(CC3OCCO3)C(C2)C1C
InChIInChI=1S/C13H22O2/c1-8-9(2)12-6-10(8)5-11(12)7-13-14-3-4-15-13/h8-13H,3-7H2,1-2H3
InChIKeyHCUXBBRJMGAVTH-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane (CID 23560967) is 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane is CC1C2CC(CC3OCCO3)C(C2)C1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane?
The InChIKey is HCUXBBRJMGAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-8-9(2)12-6-10(8)5-11(12)7-13-14-3-4-15-13/h8-13H,3-7H2,1-2H3.
What are the key properties of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane?
2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 2.68, 2 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)methyl]-1,3-dioxolane is sourced from PubChem (CID 23560967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).