(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one

C14H24O2 — CID 45097864

IUPAC(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12CCCC(=O)O2
InChIInChI=1S/C14H24O2/c1-10(2)12-7-6-11(3)9-14(12)8-4-5-13(15)16-14/h10-12H,4-9H2,1-3H3/t11-,12+,14+/m1/s1
InChIKeyASFGQSFCIHVRQD-DYEKYZERSA-N
MW224.34 g/mol
LogP3.54
Rot. Bonds1

About (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one

(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one (PubChem CID 45097864) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one
PubChem CID45097864
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12CCCC(=O)O2
InChIInChI=1S/C14H24O2/c1-10(2)12-7-6-11(3)9-14(12)8-4-5-13(15)16-14/h10-12H,4-9H2,1-3H3/t11-,12+,14+/m1/s1
InChIKeyASFGQSFCIHVRQD-DYEKYZERSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one?
The IUPAC name of (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one (CID 45097864) is (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one is CC(C)[C@@H]1CC[C@@H](C)C[C@@]12CCCC(=O)O2.
What is the InChIKey of (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one?
The InChIKey is ASFGQSFCIHVRQD-DYEKYZERSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)12-7-6-11(3)9-14(12)8-4-5-13(15)16-14/h10-12H,4-9H2,1-3H3/t11-,12+,14+/m1/s1.
What are the key properties of (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one?
(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one is sourced from PubChem (CID 45097864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).