2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one

C15H24O2 — CID 79894496

IUPAC2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H24O2/c16-14-6-2-1-5-13(14)12-7-10-17-15(11-12)8-3-4-9-15/h12-13H,1-11H2
InChIKeyJTLVYPDBVSYRMI-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.49
Rot. Bonds1

About 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one

2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one (PubChem CID 79894496) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
PubChem CID79894496
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H24O2/c16-14-6-2-1-5-13(14)12-7-10-17-15(11-12)8-3-4-9-15/h12-13H,1-11H2
InChIKeyJTLVYPDBVSYRMI-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894723
4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
CID 83196687
2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
CID 79900843
3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
CID 104679174
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283
3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
1-(1-oxaspiro[5.5]undecan-4-yl)-2-oxocyclohexane-1-carboxylic acid
CID 103575080
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106780453

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one (CID 79894496) is 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one is O=C1CCCCC1C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The InChIKey is JTLVYPDBVSYRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c16-14-6-2-1-5-13(14)12-7-10-17-15(11-12)8-3-4-9-15/h12-13H,1-11H2.
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.49, 1 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)cyclohexan-1-one is sourced from PubChem (CID 79894496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).