(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone

C13H15ClO4 — CID 106691187

IUPAC(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccoc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H15ClO4/c14-12-10(2-4-17-12)11(15)9-1-5-18-13(7-9)3-6-16-8-13/h2,4,9H,1,3,5-8H2
InChIKeyFOCBPNNUUYBJSK-UHFFFAOYSA-N
MW270.71 g/mol
LogP2.70
Rot. Bonds2

About (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone

(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone (PubChem CID 106691187) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
PubChem CID106691187
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccoc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H15ClO4/c14-12-10(2-4-17-12)11(15)9-1-5-18-13(7-9)3-6-16-8-13/h2,4,9H,1,3,5-8H2
InChIKeyFOCBPNNUUYBJSK-UHFFFAOYSA-N
XLogP2.70
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(2-methylfuran-3-yl)methanone
CID 104789251
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106865081
(3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 115787851
(5-chloro-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 114885073
2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone
CID 105119165
(5-chloro-2-methylphenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784636
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
CID 79921773
(2-chlorofuran-3-yl)-cyclohexylmethanone
CID 106690833
(4-bromo-3,5-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 114329724
[4-(2-aminoethyl)phenyl]-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116577663
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone (CID 106691187) is (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone is O=C(c1ccoc1Cl)C1CCOC2(CCOC2)C1.
What is the InChIKey of (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is FOCBPNNUUYBJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c14-12-10(2-4-17-12)11(15)9-1-5-18-13(7-9)3-6-16-8-13/h2,4,9H,1,3,5-8H2.
What are the key properties of (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 270.71 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 106691187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).