(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene

C13H22O — CID 10774208

IUPAC(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
SMILESCC1=CCC[C@]2(C1)C[C@@H](C)C[C@H](C)O2
InChIInChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h5,11-12H,4,6-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKeyHYPGDBMBEPIOPQ-AVGNSLFASA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds

About (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene

(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene (PubChem CID 10774208) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
PubChem CID10774208
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
SMILESCC1=CCC[C@]2(C1)C[C@@H](C)C[C@H](C)O2
InChIInChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h5,11-12H,4,6-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKeyHYPGDBMBEPIOPQ-AVGNSLFASA-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'}

Analyze (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene with MolForge

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Related Compounds

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3,3,6,7-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-2-benzopyran
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2-[2-(4-Methylcyclohex-3-EN-1-YL)propyl]tetrahydrofuran
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CID 162965550
Dothime A
CID 170990150
Dothime B
CID 170990151
Npc270619
CID 91753574
6-Methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 2828531
2,2,4,6-Tetramethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 3098033
2,2,6-Trimethyl-5-(3-methylbut-2-enyl)oxane
CID 3031271
2,2-Difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane
CID 54430411

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene?
The IUPAC name of (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene (CID 10774208) is (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene.
What is the SMILES notation for (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene?
The canonical SMILES for (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene is CC1=CCC[C@]2(C1)C[C@@H](C)C[C@H](C)O2.
What is the InChIKey of (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene?
The InChIKey is HYPGDBMBEPIOPQ-AVGNSLFASA-N. The full InChI is InChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h5,11-12H,4,6-9H2,1-3H3/t11-,12-,13-/m0/s1.
What are the key properties of (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene?
(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-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 (2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 10774208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).