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

C13H20O3 — CID 79894036

IUPAC1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(CC1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C13H20O3/c14-12(11-1-2-11)7-10-3-5-16-13(8-10)4-6-15-9-13/h10-11H,1-9H2
InChIKeyPGAXASOOSRFUMC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.94
Rot. Bonds3

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

1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone (PubChem CID 79894036) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
PubChem CID79894036
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(CC1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C13H20O3/c14-12(11-1-2-11)7-10-3-5-16-13(8-10)4-6-15-9-13/h10-11H,1-9H2
InChIKeyPGAXASOOSRFUMC-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
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-pyrrolidin-3-ylethanone
CID 116583409
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)propanoic acid
CID 79905063
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone (CID 79894036) is 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone is O=C(CC1CCOC2(CCOC2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is PGAXASOOSRFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12(11-1-2-11)7-10-3-5-16-13(8-10)4-6-15-9-13/h10-11H,1-9H2.
What are the key properties of 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 79894036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).