(2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol

C13H22O2 — CID 134857943

IUPAC(2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol
SMILESCC1=C(C)[C@]2(CC[C@@H]1C)O[C@H](O)C[C@H]2C
InChIInChI=1S/C13H22O2/c1-8-5-6-13(11(4)10(8)3)9(2)7-12(14)15-13/h8-9,12,14H,5-7H2,1-4H3/t8-,9+,12-,13+/m0/s1
InChIKeyQHRNCZUAPQCSIR-GAQJKIJGSA-N
MW210.32 g/mol
LogP2.87
Rot. Bonds

About (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol

(2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol (PubChem CID 134857943) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol.

Molecular Properties

Compound Name(2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol
PubChem CID134857943
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol
SMILESCC1=C(C)[C@]2(CC[C@@H]1C)O[C@H](O)C[C@H]2C
InChIInChI=1S/C13H22O2/c1-8-5-6-13(11(4)10(8)3)9(2)7-12(14)15-13/h8-9,12,14H,5-7H2,1-4H3/t8-,9+,12-,13+/m0/s1
InChIKeyQHRNCZUAPQCSIR-GAQJKIJGSA-N
XLogP2.87
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 ≤ 52.87
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 (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol?
The IUPAC name of (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol (CID 134857943) is (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol.
What is the SMILES notation for (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol?
The canonical SMILES for (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol is CC1=C(C)[C@]2(CC[C@@H]1C)O[C@H](O)C[C@H]2C.
What is the InChIKey of (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol?
The InChIKey is QHRNCZUAPQCSIR-GAQJKIJGSA-N. The full InChI is InChI=1S/C13H22O2/c1-8-5-6-13(11(4)10(8)3)9(2)7-12(14)15-13/h8-9,12,14H,5-7H2,1-4H3/t8-,9+,12-,13+/m0/s1.
What are the key properties of (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol?
(2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol is sourced from PubChem (CID 134857943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).