(6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene

C14H24O — CID 102148314

IUPAC(6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12CC=CCO2
InChIInChI=1S/C14H24O/c1-11(2)13-7-6-12(3)10-14(13)8-4-5-9-15-14/h4-5,11-13H,6-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyOEWLLXYLBLNVOY-RDBSUJKOSA-N
MW208.34 g/mol
LogP3.79
Rot. Bonds1

About (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene

(6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene (PubChem CID 102148314) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name(6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene
PubChem CID102148314
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12CC=CCO2
InChIInChI=1S/C14H24O/c1-11(2)13-7-6-12(3)10-14(13)8-4-5-9-15-14/h4-5,11-13H,6-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyOEWLLXYLBLNVOY-RDBSUJKOSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene?
The IUPAC name of (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene (CID 102148314) is (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene.
What is the SMILES notation for (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene?
The canonical SMILES for (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene is CC(C)[C@@H]1CC[C@@H](C)C[C@@]12CC=CCO2.
What is the InChIKey of (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene?
The InChIKey is OEWLLXYLBLNVOY-RDBSUJKOSA-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/h4-5,11-13H,6-10H2,1-3H3/t12-,13+,14+/m1/s1.
What are the key properties of (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene?
(6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene has a molecular weight of 208.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene is sourced from PubChem (CID 102148314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).