2-ethenyl-5-(4-propylcyclohexyl)oxane

C16H28O — CID 59294813

IUPAC2-ethenyl-5-(4-propylcyclohexyl)oxane
SMILESC=CC1CCC(C2CCC(CCC)CC2)CO1
InChIInChI=1S/C16H28O/c1-3-5-13-6-8-14(9-7-13)15-10-11-16(4-2)17-12-15/h4,13-16H,2-3,5-12H2,1H3
InChIKeyWSPXHNNUQPMMLQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.57
Rot. Bonds4

About 2-ethenyl-5-(4-propylcyclohexyl)oxane

2-ethenyl-5-(4-propylcyclohexyl)oxane (PubChem CID 59294813) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-ethenyl-5-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name2-ethenyl-5-(4-propylcyclohexyl)oxane
PubChem CID59294813
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-ethenyl-5-(4-propylcyclohexyl)oxane
SMILESC=CC1CCC(C2CCC(CCC)CC2)CO1
InChIInChI=1S/C16H28O/c1-3-5-13-6-8-14(9-7-13)15-10-11-16(4-2)17-12-15/h4,13-16H,2-3,5-12H2,1H3
InChIKeyWSPXHNNUQPMMLQ-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.57
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-ethenyl-5-(4-propylcyclohexyl)oxane?
The IUPAC name of 2-ethenyl-5-(4-propylcyclohexyl)oxane (CID 59294813) is 2-ethenyl-5-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 2-ethenyl-5-(4-propylcyclohexyl)oxane?
The canonical SMILES for 2-ethenyl-5-(4-propylcyclohexyl)oxane is C=CC1CCC(C2CCC(CCC)CC2)CO1.
What is the InChIKey of 2-ethenyl-5-(4-propylcyclohexyl)oxane?
The InChIKey is WSPXHNNUQPMMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-3-5-13-6-8-14(9-7-13)15-10-11-16(4-2)17-12-15/h4,13-16H,2-3,5-12H2,1H3.
What are the key properties of 2-ethenyl-5-(4-propylcyclohexyl)oxane?
2-ethenyl-5-(4-propylcyclohexyl)oxane has a molecular weight of 236.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 59294813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).