1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one

C14H24O3 — CID 79913667

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24O3/c1-11(2)3-4-13(15)12-5-7-17-14(9-12)6-8-16-10-14/h11-12H,3-10H2,1-2H3
InChIKeySBQRGUVGRYDDBR-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.58
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one (PubChem CID 79913667) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
PubChem CID79913667
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24O3/c1-11(2)3-4-13(15)12-5-7-17-14(9-12)6-8-16-10-14/h11-12H,3-10H2,1-2H3
InChIKeySBQRGUVGRYDDBR-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
4-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 79913472
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116571732
1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 79924083
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-3-ylethanone
CID 116583410
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(4-methylphenyl)ethanone
CID 79921686
2-(3,5-dimethylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908661
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one (CID 79913667) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one is CC(C)CCC(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one?
The InChIKey is SBQRGUVGRYDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)3-4-13(15)12-5-7-17-14(9-12)6-8-16-10-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one has a molecular weight of 240.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one is sourced from PubChem (CID 79913667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).