1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one

C14H22O3 — CID 79924083

IUPAC1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
SMILESO=C(CCC1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H22O3/c15-13(12-2-3-12)4-1-11-5-7-17-14(9-11)6-8-16-10-14/h11-12H,1-10H2
InChIKeyCJGDUPVEZODIHA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.33
Rot. Bonds4

About 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one

1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one (PubChem CID 79924083) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
PubChem CID79924083
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
SMILESO=C(CCC1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H22O3/c15-13(12-2-3-12)4-1-11-5-7-17-14(9-11)6-8-16-10-14/h11-12H,1-10H2
InChIKeyCJGDUPVEZODIHA-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79894036
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)-3-piperidin-4-ylpropan-1-one
CID 116563375
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605977
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
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
1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
CID 79922713
1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
CID 116563307
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one (CID 79924083) is 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one is O=C(CCC1CCOC2(CCOC2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The InChIKey is CJGDUPVEZODIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-13(12-2-3-12)4-1-11-5-7-17-14(9-11)6-8-16-10-14/h11-12H,1-10H2.
What are the key properties of 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one has a molecular weight of 238.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one is sourced from PubChem (CID 79924083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).