spiro[4.6]undecan-10-one

C11H18O — CID 15638085

IUPACspiro[4.6]undecan-10-one
SMILESO=C1CCCCC2(CCCC2)C1
InChIInChI=1S/C11H18O/c12-10-5-1-2-6-11(9-10)7-3-4-8-11/h1-9H2
InChIKeySFTTVBAYTMGRTR-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds

About spiro[4.6]undecan-10-one

spiro[4.6]undecan-10-one (PubChem CID 15638085) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is spiro[4.6]undecan-10-one.

Molecular Properties

Compound Namespiro[4.6]undecan-10-one
PubChem CID15638085
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namespiro[4.6]undecan-10-one
SMILESO=C1CCCCC2(CCCC2)C1
InChIInChI=1S/C11H18O/c12-10-5-1-2-6-11(9-10)7-3-4-8-11/h1-9H2
InChIKeySFTTVBAYTMGRTR-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[4.6]undecan-10-one?
The IUPAC name of spiro[4.6]undecan-10-one (CID 15638085) is spiro[4.6]undecan-10-one.
What is the SMILES notation for spiro[4.6]undecan-10-one?
The canonical SMILES for spiro[4.6]undecan-10-one is O=C1CCCCC2(CCCC2)C1.
What is the InChIKey of spiro[4.6]undecan-10-one?
The InChIKey is SFTTVBAYTMGRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-10-5-1-2-6-11(9-10)7-3-4-8-11/h1-9H2.
What are the key properties of spiro[4.6]undecan-10-one?
spiro[4.6]undecan-10-one has a molecular weight of 166.26 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.6]undecan-10-one is sourced from PubChem (CID 15638085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).