2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol

C16H28O4 — CID 10731794

IUPAC2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol
SMILESCC/C=C\C[C@@H]1[C@@H](CCOCCO)CCC12OCCO2
InChIInChI=1S/C16H28O4/c1-2-3-4-5-15-14(7-10-18-11-9-17)6-8-16(15)19-12-13-20-16/h3-4,14-15,17H,2,5-13H2,1H3/b4-3-/t14-,15-/m1/s1
InChIKeyXLWNAUSCKYLXAU-LPUOJRKPSA-N
MW284.40 g/mol
LogP2.51
Rot. Bonds8

About 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol

2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol (PubChem CID 10731794) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol
PubChem CID10731794
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol
SMILESCC/C=C\C[C@@H]1[C@@H](CCOCCO)CCC12OCCO2
InChIInChI=1S/C16H28O4/c1-2-3-4-5-15-14(7-10-18-11-9-17)6-8-16(15)19-12-13-20-16/h3-4,14-15,17H,2,5-13H2,1H3/b4-3-/t14-,15-/m1/s1
InChIKeyXLWNAUSCKYLXAU-LPUOJRKPSA-N
XLogP2.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol (CID 10731794) is 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol is CC/C=C\C[C@@H]1[C@@H](CCOCCO)CCC12OCCO2.
What is the InChIKey of 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol?
The InChIKey is XLWNAUSCKYLXAU-LPUOJRKPSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-3-4-5-15-14(7-10-18-11-9-17)6-8-16(15)19-12-13-20-16/h3-4,14-15,17H,2,5-13H2,1H3/b4-3-/t14-,15-/m1/s1.
What are the key properties of 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol?
2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol has a molecular weight of 284.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethoxy]ethanol is sourced from PubChem (CID 10731794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).