2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane

C16H28O2 — CID 58555723

IUPAC2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane
SMILESC=CC1CCC(OCC2CCC(CCC)O2)CC1
InChIInChI=1S/C16H28O2/c1-3-5-15-10-11-16(18-15)12-17-14-8-6-13(4-2)7-9-14/h4,13-16H,2-3,5-12H2,1H3
InChIKeyARLUELDXXXYURY-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.10
Rot. Bonds6

About 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane

2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane (PubChem CID 58555723) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane
PubChem CID58555723
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane
SMILESC=CC1CCC(OCC2CCC(CCC)O2)CC1
InChIInChI=1S/C16H28O2/c1-3-5-15-10-11-16(18-15)12-17-14-8-6-13(4-2)7-9-14/h4,13-16H,2-3,5-12H2,1H3
InChIKeyARLUELDXXXYURY-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.10
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-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane?
The IUPAC name of 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane (CID 58555723) is 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane.
What is the SMILES notation for 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane?
The canonical SMILES for 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane is C=CC1CCC(OCC2CCC(CCC)O2)CC1.
What is the InChIKey of 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane?
The InChIKey is ARLUELDXXXYURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-15-10-11-16(18-15)12-17-14-8-6-13(4-2)7-9-14/h4,13-16H,2-3,5-12H2,1H3.
What are the key properties of 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane?
2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane has a molecular weight of 252.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylcyclohexyl)oxymethyl]-5-propyloxolane is sourced from PubChem (CID 58555723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).