1-oxaspiro[5.7]tridecan-2-one

C12H20O2 — CID 15632345

IUPAC1-oxaspiro[5.7]tridecan-2-one
SMILESO=C1CCCC2(CCCCCCC2)O1
InChIInChI=1S/C12H20O2/c13-11-7-6-10-12(14-11)8-4-2-1-3-5-9-12/h1-10H2
InChIKeyZOLLRNSGUHHWAI-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.20
Rot. Bonds

About 1-oxaspiro[5.7]tridecan-2-one

1-oxaspiro[5.7]tridecan-2-one (PubChem CID 15632345) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-oxaspiro[5.7]tridecan-2-one.

Molecular Properties

Compound Name1-oxaspiro[5.7]tridecan-2-one
PubChem CID15632345
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-oxaspiro[5.7]tridecan-2-one
SMILESO=C1CCCC2(CCCCCCC2)O1
InChIInChI=1S/C12H20O2/c13-11-7-6-10-12(14-11)8-4-2-1-3-5-9-12/h1-10H2
InChIKeyZOLLRNSGUHHWAI-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.7]tridecan-2-one?
The IUPAC name of 1-oxaspiro[5.7]tridecan-2-one (CID 15632345) is 1-oxaspiro[5.7]tridecan-2-one.
What is the SMILES notation for 1-oxaspiro[5.7]tridecan-2-one?
The canonical SMILES for 1-oxaspiro[5.7]tridecan-2-one is O=C1CCCC2(CCCCCCC2)O1.
What is the InChIKey of 1-oxaspiro[5.7]tridecan-2-one?
The InChIKey is ZOLLRNSGUHHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-7-6-10-12(14-11)8-4-2-1-3-5-9-12/h1-10H2.
What are the key properties of 1-oxaspiro[5.7]tridecan-2-one?
1-oxaspiro[5.7]tridecan-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.7]tridecan-2-one is sourced from PubChem (CID 15632345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).