diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate

C15H24O6 — CID 58960311

IUPACdiethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)[C@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C15H24O6/c1-3-18-13(16)12(14(17)19-4-2)11-6-5-7-15(10-11)20-8-9-21-15/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyZUTVZLXRTXQTLO-NSHDSACASA-N
MW300.35 g/mol
LogP1.66
Rot. Bonds5

About diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate

diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate (PubChem CID 58960311) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
PubChem CID58960311
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namediethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)[C@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C15H24O6/c1-3-18-13(16)12(14(17)19-4-2)11-6-5-7-15(10-11)20-8-9-21-15/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyZUTVZLXRTXQTLO-NSHDSACASA-N
XLogP1.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
The IUPAC name of diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate (CID 58960311) is diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
The canonical SMILES for diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate is CCOC(=O)C(C(=O)OCC)[C@H]1CCCC2(C1)OCCO2.
What is the InChIKey of diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
The InChIKey is ZUTVZLXRTXQTLO-NSHDSACASA-N. The full InChI is InChI=1S/C15H24O6/c1-3-18-13(16)12(14(17)19-4-2)11-6-5-7-15(10-11)20-8-9-21-15/h11-12H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate has a molecular weight of 300.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate is sourced from PubChem (CID 58960311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).