1-oxaspiro[4.11]hexadec-2-en-4-one

C15H24O2 — CID 12686215

IUPAC1-oxaspiro[4.11]hexadec-2-en-4-one
SMILESO=C1C=COC12CCCCCCCCCCC2
InChIInChI=1S/C15H24O2/c16-14-10-13-17-15(14)11-8-6-4-2-1-3-5-7-9-12-15/h10,13H,1-9,11-12H2
InChIKeyCEBBNEUBHWCDFT-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.14
Rot. Bonds

About 1-oxaspiro[4.11]hexadec-2-en-4-one

1-oxaspiro[4.11]hexadec-2-en-4-one (PubChem CID 12686215) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-oxaspiro[4.11]hexadec-2-en-4-one.

Molecular Properties

Compound Name1-oxaspiro[4.11]hexadec-2-en-4-one
PubChem CID12686215
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-oxaspiro[4.11]hexadec-2-en-4-one
SMILESO=C1C=COC12CCCCCCCCCCC2
InChIInChI=1S/C15H24O2/c16-14-10-13-17-15(14)11-8-6-4-2-1-3-5-7-9-12-15/h10,13H,1-9,11-12H2
InChIKeyCEBBNEUBHWCDFT-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.11]hexadec-2-en-4-one?
The IUPAC name of 1-oxaspiro[4.11]hexadec-2-en-4-one (CID 12686215) is 1-oxaspiro[4.11]hexadec-2-en-4-one.
What is the SMILES notation for 1-oxaspiro[4.11]hexadec-2-en-4-one?
The canonical SMILES for 1-oxaspiro[4.11]hexadec-2-en-4-one is O=C1C=COC12CCCCCCCCCCC2.
What is the InChIKey of 1-oxaspiro[4.11]hexadec-2-en-4-one?
The InChIKey is CEBBNEUBHWCDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c16-14-10-13-17-15(14)11-8-6-4-2-1-3-5-7-9-12-15/h10,13H,1-9,11-12H2.
What are the key properties of 1-oxaspiro[4.11]hexadec-2-en-4-one?
1-oxaspiro[4.11]hexadec-2-en-4-one has a molecular weight of 236.35 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.11]hexadec-2-en-4-one is sourced from PubChem (CID 12686215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).