(2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol

C13H22O2 — CID 134838724

IUPAC(2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
SMILESCC1=C[C@H](O)CC(C)(C)[C@]12CC[C@@H](C)O2
InChIInChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3/t10-,11+,13+/m1/s1
InChIKeyAVMRWEITZUAUJV-MDZLAQPJSA-N
MW210.32 g/mol
LogP2.66
Rot. Bonds

About (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol

(2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol (PubChem CID 134838724) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol.

Molecular Properties

Compound Name(2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
PubChem CID134838724
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
SMILESCC1=C[C@H](O)CC(C)(C)[C@]12CC[C@@H](C)O2
InChIInChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3/t10-,11+,13+/m1/s1
InChIKeyAVMRWEITZUAUJV-MDZLAQPJSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
The IUPAC name of (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol (CID 134838724) is (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol.
What is the SMILES notation for (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
The canonical SMILES for (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol is CC1=C[C@H](O)CC(C)(C)[C@]12CC[C@@H](C)O2.
What is the InChIKey of (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
The InChIKey is AVMRWEITZUAUJV-MDZLAQPJSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3/t10-,11+,13+/m1/s1.
What are the key properties of (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
(2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol has a molecular weight of 210.32 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,8R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol is sourced from PubChem (CID 134838724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).