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

C14H24O2 — CID 79894342

IUPAC2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
SMILESCCC(=O)C(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O2/c1-3-13(15)11(2)12-6-9-16-14(10-12)7-4-5-8-14/h11-12H,3-10H2,1-2H3
InChIKeyRJBXQHRDLONLHL-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds3

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

2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one (PubChem CID 79894342) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
PubChem CID79894342
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
SMILESCCC(=O)C(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O2/c1-3-13(15)11(2)12-6-9-16-14(10-12)7-4-5-8-14/h11-12H,3-10H2,1-2H3
InChIKeyRJBXQHRDLONLHL-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-(oxan-3-yl)pentan-3-one
CID 107135382
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one (CID 79894342) is 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one is CCC(=O)C(C)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one?
The InChIKey is RJBXQHRDLONLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-13(15)11(2)12-6-9-16-14(10-12)7-4-5-8-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one?
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one has a molecular weight of 224.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one is sourced from PubChem (CID 79894342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).