(5R)-1,12-dioxaspiro[4.7]dodecan-8-one

C10H16O3 — CID 139254040

IUPAC(5R)-1,12-dioxaspiro[4.7]dodecan-8-one
SMILESO=C1CCCO[C@]2(CCCO2)CC1
InChIInChI=1S/C10H16O3/c11-9-3-1-7-12-10(6-4-9)5-2-8-13-10/h1-8H2/t10-/m0/s1
InChIKeyOEQLCNIZBSQQMX-JTQLQIEISA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds

About (5R)-1,12-dioxaspiro[4.7]dodecan-8-one

(5R)-1,12-dioxaspiro[4.7]dodecan-8-one (PubChem CID 139254040) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5R)-1,12-dioxaspiro[4.7]dodecan-8-one.

Molecular Properties

Compound Name(5R)-1,12-dioxaspiro[4.7]dodecan-8-one
PubChem CID139254040
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5R)-1,12-dioxaspiro[4.7]dodecan-8-one
SMILESO=C1CCCO[C@]2(CCCO2)CC1
InChIInChI=1S/C10H16O3/c11-9-3-1-7-12-10(6-4-9)5-2-8-13-10/h1-8H2/t10-/m0/s1
InChIKeyOEQLCNIZBSQQMX-JTQLQIEISA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethoxytetrahydrofuryl-3-butanone
CID 44719217
1,4-Dioxaspiro[4.7]dodecan-8-one
CID 12377658
7-(2-Methyl-1,3-dioxolan-2-yl)heptan-2-one
CID 14905220
1,4-Dioxaspiro[4.8]tridecan-8-one
CID 67638238
5-Ethoxy-5-pentyloxolan-2-one
CID 90393352
1-(2-Methyl-1,3-dioxolan-2-yl)-3-nonanone
CID 11128062
1-(2-Methyl-1,3-dioxolan-2-YL)octan-3-one
CID 12339717
(1S,7R)-1,7-dimethoxy-10-oxabicyclo[5.2.1]decan-4-one
CID 23730769
1,7-Dimethoxy-10-oxabicyclo[5.2.1]decan-4-one
CID 74111164
4-(2-Hexyl-1,3-dioxolan-2-yl)butan-2-one
CID 85610505

Frequently Asked Questions

What is the IUPAC name of (5R)-1,12-dioxaspiro[4.7]dodecan-8-one?
The IUPAC name of (5R)-1,12-dioxaspiro[4.7]dodecan-8-one (CID 139254040) is (5R)-1,12-dioxaspiro[4.7]dodecan-8-one.
What is the SMILES notation for (5R)-1,12-dioxaspiro[4.7]dodecan-8-one?
The canonical SMILES for (5R)-1,12-dioxaspiro[4.7]dodecan-8-one is O=C1CCCO[C@]2(CCCO2)CC1.
What is the InChIKey of (5R)-1,12-dioxaspiro[4.7]dodecan-8-one?
The InChIKey is OEQLCNIZBSQQMX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O3/c11-9-3-1-7-12-10(6-4-9)5-2-8-13-10/h1-8H2/t10-/m0/s1.
What are the key properties of (5R)-1,12-dioxaspiro[4.7]dodecan-8-one?
(5R)-1,12-dioxaspiro[4.7]dodecan-8-one has a molecular weight of 184.23 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,12-dioxaspiro[4.7]dodecan-8-one is sourced from PubChem (CID 139254040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).