(8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane

C14H24O2 — CID 59119969

IUPAC(8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane
SMILESCC/C=C\C[C@@H]1[C@@H](CC)CCC12OCCO2
InChIInChI=1S/C14H24O2/c1-3-5-6-7-13-12(4-2)8-9-14(13)15-10-11-16-14/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5-/t12-,13+/m0/s1
InChIKeyMNSDHCUVOJKQOU-AGFGORMFSA-N
MW224.34 g/mol
LogP3.52
Rot. Bonds4

About (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane

(8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane (PubChem CID 59119969) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane
PubChem CID59119969
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane
SMILESCC/C=C\C[C@@H]1[C@@H](CC)CCC12OCCO2
InChIInChI=1S/C14H24O2/c1-3-5-6-7-13-12(4-2)8-9-14(13)15-10-11-16-14/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5-/t12-,13+/m0/s1
InChIKeyMNSDHCUVOJKQOU-AGFGORMFSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.52
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 (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane (CID 59119969) is (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane is CC/C=C\C[C@@H]1[C@@H](CC)CCC12OCCO2.
What is the InChIKey of (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane?
The InChIKey is MNSDHCUVOJKQOU-AGFGORMFSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-13-12(4-2)8-9-14(13)15-10-11-16-14/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5-/t12-,13+/m0/s1.
What are the key properties of (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane?
(8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane has a molecular weight of 224.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 59119969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).