(2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

C13H20O — CID 134612775

IUPAC(2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene
SMILESCC1=CC[C@@H](C)[C@H](C)[C@@]12C=C[C@H](C)O2
InChIInChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3/t9-,11+,12+,13-/m1/s1
InChIKeyWYTVJTNOJJKEEQ-LPTSXCQYSA-N
MW192.30 g/mol
LogP3.32
Rot. Bonds

About (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

(2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene (PubChem CID 134612775) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene.

Molecular Properties

Compound Name(2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene
PubChem CID134612775
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene
SMILESCC1=CC[C@@H](C)[C@H](C)[C@@]12C=C[C@H](C)O2
InChIInChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3/t9-,11+,12+,13-/m1/s1
InChIKeyWYTVJTNOJJKEEQ-LPTSXCQYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene with MolForge

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Related Compounds

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4-(2,5-dimethyl-2H-furan-5-yl)-1,3-dihydroimidazole-2-thione
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Frequently Asked Questions

What is the IUPAC name of (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene?
The IUPAC name of (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene (CID 134612775) is (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene.
What is the SMILES notation for (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene?
The canonical SMILES for (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene is CC1=CC[C@@H](C)[C@H](C)[C@@]12C=C[C@H](C)O2.
What is the InChIKey of (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene?
The InChIKey is WYTVJTNOJJKEEQ-LPTSXCQYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3/t9-,11+,12+,13-/m1/s1.
What are the key properties of (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene?
(2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene has a molecular weight of 192.30 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,9R,10S)-2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene is sourced from PubChem (CID 134612775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).