2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane

C15H26O — CID 71161181

IUPAC2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane
SMILESCC1(C)CCC(CCC2CC=CCC2)OC1
InChIInChI=1S/C15H26O/c1-15(2)11-10-14(16-12-15)9-8-13-6-4-3-5-7-13/h3-4,13-14H,5-12H2,1-2H3
InChIKeyNQUDUOZNWUMHJJ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.33
Rot. Bonds3

About 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane

2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane (PubChem CID 71161181) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane
PubChem CID71161181
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane
SMILESCC1(C)CCC(CCC2CC=CCC2)OC1
InChIInChI=1S/C15H26O/c1-15(2)11-10-14(16-12-15)9-8-13-6-4-3-5-7-13/h3-4,13-14H,5-12H2,1-2H3
InChIKeyNQUDUOZNWUMHJJ-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane?
The IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane (CID 71161181) is 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane?
The canonical SMILES for 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane is CC1(C)CCC(CCC2CC=CCC2)OC1.
What is the InChIKey of 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane?
The InChIKey is NQUDUOZNWUMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-15(2)11-10-14(16-12-15)9-8-13-6-4-3-5-7-13/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane?
2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane has a molecular weight of 222.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-ylethyl)-5,5-dimethyloxane is sourced from PubChem (CID 71161181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).