2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone

C14H22O4 — CID 116709110

IUPAC2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone
SMILESCOC(C(=O)C1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H22O4/c1-16-13(10-2-3-10)12(15)11-4-6-18-14(8-11)5-7-17-9-14/h10-11,13H,2-9H2,1H3
InChIKeyHJCOBUFMFJQILA-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.57
Rot. Bonds4

About 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone

2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone (PubChem CID 116709110) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone
PubChem CID116709110
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone
SMILESCOC(C(=O)C1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H22O4/c1-16-13(10-2-3-10)12(15)11-4-6-18-14(8-11)5-7-17-9-14/h10-11,13H,2-9H2,1H3
InChIKeyHJCOBUFMFJQILA-UHFFFAOYSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone with MolForge

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Related Compounds

2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one
CID 103453831
2,6-dioxaspiro[4.5]decane-9-carboximidamide
CID 79906061
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone?
The IUPAC name of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone (CID 116709110) is 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone?
The canonical SMILES for 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone is COC(C(=O)C1CCOC2(CCOC2)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone?
The InChIKey is HJCOBUFMFJQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-16-13(10-2-3-10)12(15)11-4-6-18-14(8-11)5-7-17-9-14/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone?
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone has a molecular weight of 254.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone is sourced from PubChem (CID 116709110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).