3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one

C16H26O2 — CID 116538544

IUPAC3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
SMILESCC1(C2CCOC3(CCCCC3)C2)CCC(=O)C1
InChIInChI=1S/C16H26O2/c1-15(9-5-14(17)12-15)13-6-10-18-16(11-13)7-3-2-4-8-16/h13H,2-12H2,1H3
InChIKeyVZWFODOAHIJPMV-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.88
Rot. Bonds1

About 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one

3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one (PubChem CID 116538544) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
PubChem CID116538544
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
SMILESCC1(C2CCOC3(CCCCC3)C2)CCC(=O)C1
InChIInChI=1S/C16H26O2/c1-15(9-5-14(17)12-15)13-6-10-18-16(11-13)7-3-2-4-8-16/h13H,2-12H2,1H3
InChIKeyVZWFODOAHIJPMV-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-3-methylcyclopentan-1-one
CID 116538592
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 116538915
1-(1-oxaspiro[5.5]undecan-4-yl)-2-oxocyclohexane-1-carboxylic acid
CID 103575080
1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401216
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
5-oxaspiro[3.5]nonan-2-one
CID 171035049
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
CID 83035071
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one?
The IUPAC name of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one (CID 116538544) is 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one is CC1(C2CCOC3(CCCCC3)C2)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one?
The InChIKey is VZWFODOAHIJPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(9-5-14(17)12-15)13-6-10-18-16(11-13)7-3-2-4-8-16/h13H,2-12H2,1H3.
What are the key properties of 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one?
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one has a molecular weight of 250.38 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one is sourced from PubChem (CID 116538544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).