1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one

C16H28O2 — CID 115787777

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
SMILESCCCCCCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28O2/c1-2-3-4-5-8-15(17)14-9-12-18-16(13-14)10-6-7-11-16/h14H,2-13H2,1H3
InChIKeyWOOVXDXNOZDRKE-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.27
Rot. Bonds6

About 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one

1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one (PubChem CID 115787777) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
PubChem CID115787777
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
SMILESCCCCCCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28O2/c1-2-3-4-5-8-15(17)14-9-12-18-16(13-14)10-6-7-11-16/h14H,2-13H2,1H3
InChIKeyWOOVXDXNOZDRKE-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 105119058
4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 79922076
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
2-butan-2-ylsulfanyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanone
CID 79921882
1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
CID 116572227
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
1-(oxolan-3-yl)nonan-1-one
CID 65330227
1-(oxolan-3-yl)heptan-1-one
CID 65330226
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596
2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921443
2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 116575346
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one (CID 115787777) is 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one is CCCCCCC(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one?
The InChIKey is WOOVXDXNOZDRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-4-5-8-15(17)14-9-12-18-16(13-14)10-6-7-11-16/h14H,2-13H2,1H3.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one?
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one has a molecular weight of 252.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one is sourced from PubChem (CID 115787777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).