4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one

C16H24O3 — CID 91147384

IUPAC4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one
SMILESC=C(C1CCC(=O)CC1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H24O3/c1-12(13-2-4-15(17)5-3-13)14-6-8-16(9-7-14)18-10-11-19-16/h13-14H,1-11H2
InChIKeyBRIKYZBBBXKKTO-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.24
Rot. Bonds2

About 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one

4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one (PubChem CID 91147384) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one
PubChem CID91147384
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one
SMILESC=C(C1CCC(=O)CC1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H24O3/c1-12(13-2-4-15(17)5-3-13)14-6-8-16(9-7-14)18-10-11-19-16/h13-14H,1-11H2
InChIKeyBRIKYZBBBXKKTO-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
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 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one?
The IUPAC name of 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one (CID 91147384) is 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one?
The canonical SMILES for 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one is C=C(C1CCC(=O)CC1)C1CCC2(CC1)OCCO2.
What is the InChIKey of 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one?
The InChIKey is BRIKYZBBBXKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(13-2-4-15(17)5-3-13)14-6-8-16(9-7-14)18-10-11-19-16/h13-14H,1-11H2.
What are the key properties of 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one?
4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]cyclohexan-1-one is sourced from PubChem (CID 91147384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).