(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene

C13H22O — CID 137300531

IUPAC(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene
SMILESCC1CC[C@]2(O1)C(C)C=CCC2(C)C
InChIInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,10-11H,7-9H2,1-4H3/t10?,11?,13-/m0/s1
InChIKeySXWAOCZMZJFEHL-XIVSLSHWSA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds

About (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene

(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene (PubChem CID 137300531) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene.

Molecular Properties

Compound Name(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene
PubChem CID137300531
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene
SMILESCC1CC[C@]2(O1)C(C)C=CCC2(C)C
InChIInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,10-11H,7-9H2,1-4H3/t10?,11?,13-/m0/s1
InChIKeySXWAOCZMZJFEHL-XIVSLSHWSA-N
XLogP3.55
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 ≤ 53.55
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 (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene?
The IUPAC name of (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene (CID 137300531) is (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene.
What is the SMILES notation for (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene?
The canonical SMILES for (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene is CC1CC[C@]2(O1)C(C)C=CCC2(C)C.
What is the InChIKey of (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene?
The InChIKey is SXWAOCZMZJFEHL-XIVSLSHWSA-N. The full InChI is InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,10-11H,7-9H2,1-4H3/t10?,11?,13-/m0/s1.
What are the key properties of (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene?
(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene has a molecular weight of 194.32 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-8-ene is sourced from PubChem (CID 137300531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).