2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one

C13H20O2 — CID 103446400

IUPAC2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H20O2/c1-10(2)12(14)11-5-8-15-13(9-11)6-3-4-7-13/h11H,1,3-9H2,2H3
InChIKeyFVSYDJJTYGPKQM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one

2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one (PubChem CID 103446400) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one
PubChem CID103446400
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H20O2/c1-10(2)12(14)11-5-8-15-13(9-11)6-3-4-7-13/h11H,1,3-9H2,2H3
InChIKeyFVSYDJJTYGPKQM-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.87
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

17-(6-Ethyl-3,4,5-trimethyloxan-2-yl)-2-methylheptadec-1-ene-3,10-dione
CID 89798413
(4S)-2,4-dimethyl-5-[(2S)-oxolan-2-yl]pent-1-en-3-one
CID 122545541
(4S)-2,4-dimethyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 122545542
(4S)-2,4-dimethyl-5-[(2R)-oxolan-2-yl]pent-1-en-3-one
CID 122545548
2-(6-Pentyloxan-3-yl)prop-2-enal
CID 134456986
4-(5-Methyl-4-oxohex-5-enyl)oxolan-2-one
CID 143714538
2-Methyl-5-(oxan-4-yl)pent-1-en-3-one
CID 157267218
(3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one
CID 162206745
3-Methylidene-1-(oxan-4-yl)pentan-1-one
CID 66043838
3-(6-Oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-one
CID 79922843
3-(6-Oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one
CID 79924215
4-(6-Oxaspiro[4.5]decan-9-yl)cyclohex-3-en-1-one
CID 83261946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one (CID 103446400) is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one is C=C(C)C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one?
The InChIKey is FVSYDJJTYGPKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)12(14)11-5-8-15-13(9-11)6-3-4-7-13/h11H,1,3-9H2,2H3.
What are the key properties of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one?
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one is sourced from PubChem (CID 103446400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).