4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one

C16H26O3 — CID 10236276

IUPAC4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26O3/c17-15-5-3-13(4-6-15)1-2-14-7-9-16(10-8-14)18-11-12-19-16/h13-14H,1-12H2
InChIKeyIRPLTFYWOAEECF-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.46
Rot. Bonds3

About 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one

4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one (PubChem CID 10236276) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one
PubChem CID10236276
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26O3/c17-15-5-3-13(4-6-15)1-2-14-7-9-16(10-8-14)18-11-12-19-16/h13-14H,1-12H2
InChIKeyIRPLTFYWOAEECF-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one (CID 10236276) is 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one is O=C1CCC(CCC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one?
The InChIKey is IRPLTFYWOAEECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-15-5-3-13(4-6-15)1-2-14-7-9-16(10-8-14)18-11-12-19-16/h13-14H,1-12H2.
What are the key properties of 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one?
4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one has a molecular weight of 266.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 10236276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).