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

C14H22O3 — CID 810913

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2
InChIKeyZNWLFTSPNBLXGL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds1

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

4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one (PubChem CID 810913) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
PubChem CID810913
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2
InChIKeyZNWLFTSPNBLXGL-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one (CID 810913) is 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one is O=C1CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one?
The InChIKey is ZNWLFTSPNBLXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one?
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one has a molecular weight of 238.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one is sourced from PubChem (CID 810913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).