1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one

C13H22O3 — CID 11287573

IUPAC1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one
SMILESCCCCC(=O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C13H22O3/c1-2-3-7-11(14)12-10-15-13(16-12)8-5-4-6-9-13/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyLDBWTULWAFSVAI-GFCCVEGCSA-N
MW226.32 g/mol
LogP2.82
Rot. Bonds4

About 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one

1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one (PubChem CID 11287573) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one
PubChem CID11287573
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one
SMILESCCCCC(=O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C13H22O3/c1-2-3-7-11(14)12-10-15-13(16-12)8-5-4-6-9-13/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyLDBWTULWAFSVAI-GFCCVEGCSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one?
The IUPAC name of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one (CID 11287573) is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one.
What is the SMILES notation for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one?
The canonical SMILES for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one is CCCCC(=O)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one?
The InChIKey is LDBWTULWAFSVAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-3-7-11(14)12-10-15-13(16-12)8-5-4-6-9-13/h12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one?
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one is sourced from PubChem (CID 11287573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).