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

C14H24O3 — CID 10586145

IUPAC2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
SMILESCC/C=C\C[C@@H]1[C@@H](CCO)CCC12OCCO2
InChIInChI=1S/C14H24O3/c1-2-3-4-5-13-12(7-9-15)6-8-14(13)16-10-11-17-14/h3-4,12-13,15H,2,5-11H2,1H3/b4-3-/t12-,13-/m1/s1
InChIKeyCZOQFZFVKPMCIM-FGTRRKKMSA-N
MW240.34 g/mol
LogP2.49
Rot. Bonds5

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

2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol (PubChem CID 10586145) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol.

Molecular Properties

Compound Name2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
PubChem CID10586145
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
SMILESCC/C=C\C[C@@H]1[C@@H](CCO)CCC12OCCO2
InChIInChI=1S/C14H24O3/c1-2-3-4-5-13-12(7-9-15)6-8-14(13)16-10-11-17-14/h3-4,12-13,15H,2,5-11H2,1H3/b4-3-/t12-,13-/m1/s1
InChIKeyCZOQFZFVKPMCIM-FGTRRKKMSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
The IUPAC name of 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol (CID 10586145) is 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol.
What is the SMILES notation for 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
The canonical SMILES for 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol is CC/C=C\C[C@@H]1[C@@H](CCO)CCC12OCCO2.
What is the InChIKey of 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
The InChIKey is CZOQFZFVKPMCIM-FGTRRKKMSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-5-13-12(7-9-15)6-8-14(13)16-10-11-17-14/h3-4,12-13,15H,2,5-11H2,1H3/b4-3-/t12-,13-/m1/s1.
What are the key properties of 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol?
2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol has a molecular weight of 240.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol is sourced from PubChem (CID 10586145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).