3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one

C13H22O2 — CID 79893658

IUPAC3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
SMILESCC(=O)C(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22O2/c1-10(11(2)14)12-5-8-15-13(9-12)6-3-4-7-13/h10,12H,3-9H2,1-2H3
InChIKeyNRSLKOKUWWXTQW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds2

About 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one

3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one (PubChem CID 79893658) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one.

Molecular Properties

Compound Name3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
PubChem CID79893658
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
SMILESCC(=O)C(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22O2/c1-10(11(2)14)12-5-8-15-13(9-12)6-3-4-7-13/h10,12H,3-9H2,1-2H3
InChIKeyNRSLKOKUWWXTQW-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
3-methoxy-2-(6-oxaspiro[4.5]decan-9-yl)-3-oxopropanoic acid
CID 113360322
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
The IUPAC name of 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one (CID 79893658) is 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one.
What is the SMILES notation for 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
The canonical SMILES for 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one is CC(=O)C(C)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
The InChIKey is NRSLKOKUWWXTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(11(2)14)12-5-8-15-13(9-12)6-3-4-7-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one is sourced from PubChem (CID 79893658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).