1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone

C14H18O4 — CID 79921773

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H18O4/c15-13(12-2-1-6-17-12)11-3-7-18-14(10-11)4-8-16-9-5-14/h1-2,6,11H,3-5,7-10H2
InChIKeyFCAJFCXOWCDZMI-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.44
Rot. Bonds2

About 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone

1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone (PubChem CID 79921773) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
PubChem CID79921773
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H18O4/c15-13(12-2-1-6-17-12)11-3-7-18-14(10-11)4-8-16-9-5-14/h1-2,6,11H,3-5,7-10H2
InChIKeyFCAJFCXOWCDZMI-UHFFFAOYSA-N
XLogP2.44
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909705
(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670
(3,5-dibromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107977143
(2-chloro-6-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784651
(2,6-dimethyl-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107502445
(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784618
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylfuran-3-yl)methanone
CID 104789251
(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106691187
(5-chloro-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 114885073
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783846
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone (CID 79921773) is 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone is O=C(c1ccco1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone?
The InChIKey is FCAJFCXOWCDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c15-13(12-2-1-6-17-12)11-3-7-18-14(10-11)4-8-16-9-5-14/h1-2,6,11H,3-5,7-10H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone?
1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone has a molecular weight of 250.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone is sourced from PubChem (CID 79921773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).