(4R,5S)-4-methoxyspiro[4.6]undecan-11-one

C12H20O2 — CID 10726571

IUPAC(4R,5S)-4-methoxyspiro[4.6]undecan-11-one
SMILESCO[C@@H]1CCC[C@@]12CCCCCC2=O
InChIInChI=1S/C12H20O2/c1-14-11-7-5-9-12(11)8-4-2-3-6-10(12)13/h11H,2-9H2,1H3/t11-,12-/m1/s1
InChIKeySUXKRYRQAADUAW-VXGBXAGGSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds1

About (4R,5S)-4-methoxyspiro[4.6]undecan-11-one

(4R,5S)-4-methoxyspiro[4.6]undecan-11-one (PubChem CID 10726571) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4R,5S)-4-methoxyspiro[4.6]undecan-11-one.

Molecular Properties

Compound Name(4R,5S)-4-methoxyspiro[4.6]undecan-11-one
PubChem CID10726571
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4R,5S)-4-methoxyspiro[4.6]undecan-11-one
SMILESCO[C@@H]1CCC[C@@]12CCCCCC2=O
InChIInChI=1S/C12H20O2/c1-14-11-7-5-9-12(11)8-4-2-3-6-10(12)13/h11H,2-9H2,1H3/t11-,12-/m1/s1
InChIKeySUXKRYRQAADUAW-VXGBXAGGSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methoxyspiro[4.6]undecan-11-one?
The IUPAC name of (4R,5S)-4-methoxyspiro[4.6]undecan-11-one (CID 10726571) is (4R,5S)-4-methoxyspiro[4.6]undecan-11-one.
What is the SMILES notation for (4R,5S)-4-methoxyspiro[4.6]undecan-11-one?
The canonical SMILES for (4R,5S)-4-methoxyspiro[4.6]undecan-11-one is CO[C@@H]1CCC[C@@]12CCCCCC2=O.
What is the InChIKey of (4R,5S)-4-methoxyspiro[4.6]undecan-11-one?
The InChIKey is SUXKRYRQAADUAW-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H20O2/c1-14-11-7-5-9-12(11)8-4-2-3-6-10(12)13/h11H,2-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of (4R,5S)-4-methoxyspiro[4.6]undecan-11-one?
(4R,5S)-4-methoxyspiro[4.6]undecan-11-one has a molecular weight of 196.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methoxyspiro[4.6]undecan-11-one is sourced from PubChem (CID 10726571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).