(8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene

C14H24O — CID 71427882

IUPAC(8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12CCC=CO2
InChIInChI=1S/C14H24O/c1-11(2)13-7-6-12(3)10-14(13)8-4-5-9-15-14/h5,9,11-13H,4,6-8,10H2,1-3H3/t12-,13+,14?/m1/s1
InChIKeyAJSXMOXQNBBWNG-AMIUJLCOSA-N
MW208.34 g/mol
LogP4.14
Rot. Bonds1

About (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene

(8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene (PubChem CID 71427882) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene.

Molecular Properties

Compound Name(8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene
PubChem CID71427882
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12CCC=CO2
InChIInChI=1S/C14H24O/c1-11(2)13-7-6-12(3)10-14(13)8-4-5-9-15-14/h5,9,11-13H,4,6-8,10H2,1-3H3/t12-,13+,14?/m1/s1
InChIKeyAJSXMOXQNBBWNG-AMIUJLCOSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene?
The IUPAC name of (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene (CID 71427882) is (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene.
What is the SMILES notation for (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene?
The canonical SMILES for (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene is CC(C)[C@@H]1CC[C@@H](C)CC12CCC=CO2.
What is the InChIKey of (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene?
The InChIKey is AJSXMOXQNBBWNG-AMIUJLCOSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)13-7-6-12(3)10-14(13)8-4-5-9-15-14/h5,9,11-13H,4,6-8,10H2,1-3H3/t12-,13+,14?/m1/s1.
What are the key properties of (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene?
(8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene has a molecular weight of 208.34 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-2-ene is sourced from PubChem (CID 71427882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).