2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane

C17H28O — CID 58555720

IUPAC2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane
SMILESC=CC1CCC(/C=C/C2CCC(CCC)O2)CC1
InChIInChI=1S/C17H28O/c1-3-5-16-12-13-17(18-16)11-10-15-8-6-14(4-2)7-9-15/h4,10-11,14-17H,2-3,5-9,12-13H2,1H3/b11-10+
InChIKeyRECCAQGNKYEMFL-ZHACJKMWSA-N
MW248.41 g/mol
LogP4.88
Rot. Bonds5

About 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane

2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane (PubChem CID 58555720) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane
PubChem CID58555720
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane
SMILESC=CC1CCC(/C=C/C2CCC(CCC)O2)CC1
InChIInChI=1S/C17H28O/c1-3-5-16-12-13-17(18-16)11-10-15-8-6-14(4-2)7-9-15/h4,10-11,14-17H,2-3,5-9,12-13H2,1H3/b11-10+
InChIKeyRECCAQGNKYEMFL-ZHACJKMWSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.88
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-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane?
The IUPAC name of 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane (CID 58555720) is 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane.
What is the SMILES notation for 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane?
The canonical SMILES for 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane is C=CC1CCC(/C=C/C2CCC(CCC)O2)CC1.
What is the InChIKey of 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane?
The InChIKey is RECCAQGNKYEMFL-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-16-12-13-17(18-16)11-10-15-8-6-14(4-2)7-9-15/h4,10-11,14-17H,2-3,5-9,12-13H2,1H3/b11-10+.
What are the key properties of 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane?
2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane has a molecular weight of 248.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane is sourced from PubChem (CID 58555720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).