2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane

C13H22O2 — CID 13215923

IUPAC2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC1(CCC2=CCCCCC2)OCCO1
InChIInChI=1S/C13H22O2/c1-13(14-10-11-15-13)9-8-12-6-4-2-3-5-7-12/h6H,2-5,7-11H2,1H3
InChIKeyBKNYBOUQJSNHRN-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds3

About 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane

2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane (PubChem CID 13215923) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane
PubChem CID13215923
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC1(CCC2=CCCCCC2)OCCO1
InChIInChI=1S/C13H22O2/c1-13(14-10-11-15-13)9-8-12-6-4-2-3-5-7-12/h6H,2-5,7-11H2,1H3
InChIKeyBKNYBOUQJSNHRN-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane (CID 13215923) is 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane is CC1(CCC2=CCCCCC2)OCCO1.
What is the InChIKey of 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane?
The InChIKey is BKNYBOUQJSNHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(14-10-11-15-13)9-8-12-6-4-2-3-5-7-12/h6H,2-5,7-11H2,1H3.
What are the key properties of 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane?
2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 13215923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).