8-methylidene-6-oxaspiro[4.5]decan-9-one

C10H14O2 — CID 102494655

IUPAC8-methylidene-6-oxaspiro[4.5]decan-9-one
SMILESC=C1COC2(CCCC2)CC1=O
InChIInChI=1S/C10H14O2/c1-8-7-12-10(6-9(8)11)4-2-3-5-10/h1-7H2
InChIKeyIMGXOVCCGSABSK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.84
Rot. Bonds

About 8-methylidene-6-oxaspiro[4.5]decan-9-one

8-methylidene-6-oxaspiro[4.5]decan-9-one (PubChem CID 102494655) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 8-methylidene-6-oxaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name8-methylidene-6-oxaspiro[4.5]decan-9-one
PubChem CID102494655
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name8-methylidene-6-oxaspiro[4.5]decan-9-one
SMILESC=C1COC2(CCCC2)CC1=O
InChIInChI=1S/C10H14O2/c1-8-7-12-10(6-9(8)11)4-2-3-5-10/h1-7H2
InChIKeyIMGXOVCCGSABSK-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-oxaspiro[3.4]octan-7-one
CID 122163504
1,3-dioxaspiro[5.5]undecan-4-one
CID 12574156
5-oxaspiro[3.5]nonan-2-one
CID 171035049
spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one
CID 72699601
8-prop-2-enoyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 154587219
1-oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
2-methylidenecyclopropan-1-one
CID 19064098
1-oxa-8-azaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 169448913
1-oxaspiro[2.7]decane
CID 13240757
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 165352507
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 69014172

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-6-oxaspiro[4.5]decan-9-one?
The IUPAC name of 8-methylidene-6-oxaspiro[4.5]decan-9-one (CID 102494655) is 8-methylidene-6-oxaspiro[4.5]decan-9-one.
What is the SMILES notation for 8-methylidene-6-oxaspiro[4.5]decan-9-one?
The canonical SMILES for 8-methylidene-6-oxaspiro[4.5]decan-9-one is C=C1COC2(CCCC2)CC1=O.
What is the InChIKey of 8-methylidene-6-oxaspiro[4.5]decan-9-one?
The InChIKey is IMGXOVCCGSABSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-7-12-10(6-9(8)11)4-2-3-5-10/h1-7H2.
What are the key properties of 8-methylidene-6-oxaspiro[4.5]decan-9-one?
8-methylidene-6-oxaspiro[4.5]decan-9-one has a molecular weight of 166.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-6-oxaspiro[4.5]decan-9-one is sourced from PubChem (CID 102494655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).