(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene

C13H22O — CID 11298500

IUPAC(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
SMILESCC1=CCCC(C)(C)[C@]12CC[C@@H](C)O2
InChIInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1
InChIKeyGYUZHTWCNKINPY-YPMHNXCESA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds

About (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene

(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene (PubChem CID 11298500) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
PubChem CID11298500
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
SMILESCC1=CCCC(C)(C)[C@]12CC[C@@H](C)O2
InChIInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1
InChIKeyGYUZHTWCNKINPY-YPMHNXCESA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
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 (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene?
The IUPAC name of (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene (CID 11298500) is (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene.
What is the SMILES notation for (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene?
The canonical SMILES for (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene is CC1=CCCC(C)(C)[C@]12CC[C@@H](C)O2.
What is the InChIKey of (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene?
The InChIKey is GYUZHTWCNKINPY-YPMHNXCESA-N. The full InChI is InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene?
(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene has a molecular weight of 194.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene is sourced from PubChem (CID 11298500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).