2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane

C16H26O2 — CID 10705847

IUPAC2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane
SMILESC=CC[C@H]1CCCC[C@@]1(C=C)OC1CCCCO1
InChIInChI=1S/C16H26O2/c1-3-9-14-10-5-7-12-16(14,4-2)18-15-11-6-8-13-17-15/h3-4,14-15H,1-2,5-13H2/t14-,15?,16+/m0/s1
InChIKeyGSUYRHLDASJLEV-DLDKDUQYSA-N
MW250.38 g/mol
LogP4.22
Rot. Bonds5

About 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane

2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane (PubChem CID 10705847) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane.

Molecular Properties

Compound Name2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane
PubChem CID10705847
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane
SMILESC=CC[C@H]1CCCC[C@@]1(C=C)OC1CCCCO1
InChIInChI=1S/C16H26O2/c1-3-9-14-10-5-7-12-16(14,4-2)18-15-11-6-8-13-17-15/h3-4,14-15H,1-2,5-13H2/t14-,15?,16+/m0/s1
InChIKeyGSUYRHLDASJLEV-DLDKDUQYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.22
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-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane?
The IUPAC name of 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane (CID 10705847) is 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane.
What is the SMILES notation for 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane?
The canonical SMILES for 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane is C=CC[C@H]1CCCC[C@@]1(C=C)OC1CCCCO1.
What is the InChIKey of 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane?
The InChIKey is GSUYRHLDASJLEV-DLDKDUQYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-9-14-10-5-7-12-16(14,4-2)18-15-11-6-8-13-17-15/h3-4,14-15H,1-2,5-13H2/t14-,15?,16+/m0/s1.
What are the key properties of 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane?
2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane has a molecular weight of 250.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane is sourced from PubChem (CID 10705847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).