2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone

C14H22O4 — CID 103447799

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
SMILESO=C(C1CCOC2(CCOC2)C1)C1(O)CCCC1
InChIInChI=1S/C14H22O4/c15-12(14(16)4-1-2-5-14)11-3-7-18-13(9-11)6-8-17-10-13/h11,16H,1-10H2
InChIKeyZUGPVACGGCSQIX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.45
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone

2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone (PubChem CID 103447799) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
PubChem CID103447799
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
SMILESO=C(C1CCOC2(CCOC2)C1)C1(O)CCCC1
InChIInChI=1S/C14H22O4/c15-12(14(16)4-1-2-5-14)11-3-7-18-13(9-11)6-8-17-10-13/h11,16H,1-10H2
InChIKeyZUGPVACGGCSQIX-UHFFFAOYSA-N
XLogP1.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909690
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone
CID 116569138
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
2,6-dioxaspiro[4.5]decane-9-carboximidamide
CID 79906061
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone (CID 103447799) is 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone is O=C(C1CCOC2(CCOC2)C1)C1(O)CCCC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone?
The InChIKey is ZUGPVACGGCSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-12(14(16)4-1-2-5-14)11-3-7-18-13(9-11)6-8-17-10-13/h11,16H,1-10H2.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone?
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 103447799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).