4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one

C14H22O3 — CID 18336227

IUPAC4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one
SMILESCC1C2CC(CCC3COC(=O)O3)C(C2)C1C
InChIInChI=1S/C14H22O3/c1-8-9(2)13-6-11(8)5-10(13)3-4-12-7-16-14(15)17-12/h8-13H,3-7H2,1-2H3
InChIKeyQRQDNGWGPJSDGH-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.23
Rot. Bonds3

About 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one

4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one (PubChem CID 18336227) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one
PubChem CID18336227
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one
SMILESCC1C2CC(CCC3COC(=O)O3)C(C2)C1C
InChIInChI=1S/C14H22O3/c1-8-9(2)13-6-11(8)5-10(13)3-4-12-7-16-14(15)17-12/h8-13H,3-7H2,1-2H3
InChIKeyQRQDNGWGPJSDGH-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one (CID 18336227) is 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one is CC1C2CC(CCC3COC(=O)O3)C(C2)C1C.
What is the InChIKey of 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one?
The InChIKey is QRQDNGWGPJSDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-8-9(2)13-6-11(8)5-10(13)3-4-12-7-16-14(15)17-12/h8-13H,3-7H2,1-2H3.
What are the key properties of 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one?
4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one has a molecular weight of 238.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 18336227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).