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

C15H26O2 — CID 23560947

IUPAC2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC1C2CC(CCC3(C)OCCO3)C(C2)C1C
InChIInChI=1S/C15H26O2/c1-10-11(2)14-9-13(10)8-12(14)4-5-15(3)16-6-7-17-15/h10-14H,4-9H2,1-3H3
InChIKeyBMEUHCKCWYGWMN-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.46
Rot. Bonds3

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

2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane (PubChem CID 23560947) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane
PubChem CID23560947
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC1C2CC(CCC3(C)OCCO3)C(C2)C1C
InChIInChI=1S/C15H26O2/c1-10-11(2)14-9-13(10)8-12(14)4-5-15(3)16-6-7-17-15/h10-14H,4-9H2,1-3H3
InChIKeyBMEUHCKCWYGWMN-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane (CID 23560947) is 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane is CC1C2CC(CCC3(C)OCCO3)C(C2)C1C.
What is the InChIKey of 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane?
The InChIKey is BMEUHCKCWYGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-11(2)14-9-13(10)8-12(14)4-5-15(3)16-6-7-17-15/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane?
2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 23560947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).