2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one

C15H24O2 — CID 11172426

IUPAC2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one
SMILESCC1=CC2(CC(C)(C)C1=O)OC(C)(C)C2(C)C
InChIInChI=1S/C15H24O2/c1-10-8-15(9-12(2,3)11(10)16)13(4,5)14(6,7)17-15/h8H,9H2,1-7H3
InChIKeyFODRSHFHIAKFAN-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.51
Rot. Bonds

About 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one

2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one (PubChem CID 11172426) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one
PubChem CID11172426
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one
SMILESCC1=CC2(CC(C)(C)C1=O)OC(C)(C)C2(C)C
InChIInChI=1S/C15H24O2/c1-10-8-15(9-12(2,3)11(10)16)13(4,5)14(6,7)17-15/h8H,9H2,1-7H3
InChIKeyFODRSHFHIAKFAN-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Theaspirone A
CID 5321925
(-)-Theaspirone
CID 12443396
(2r,5s)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one
CID 11830646
(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 11041979
14-Methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one
CID 11277022
4-Butyl-4-methoxy-2-methylcyclohex-2-en-1-one
CID 134922463
(2R,5S)-2,6,6-trimethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 164676329
(2S,5S)-2,6,6-trimethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 164676847
(3aS,7aS)-6-(tert-butyl)-3a-methyl-7a-((E)-3-oxobut-1-en-1-yl)-3a,4,5,7a-tetrahydrobenzofuran-2(3H)-one
CID 169408943
(2R)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one
CID 44148083
Tert-butyl 6-tert-butylcyclohexene-1-carboxylate
CID 102278728
(Z)-4-(3-ethyl-1,2,6,6-tetramethyl-4-oxocyclohex-2-en-1-yl)oxy-3-methylbut-2-enal
CID 131989556

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one?
The IUPAC name of 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one (CID 11172426) is 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one is CC1=CC2(CC(C)(C)C1=O)OC(C)(C)C2(C)C.
What is the InChIKey of 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one?
The InChIKey is FODRSHFHIAKFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-8-15(9-12(2,3)11(10)16)13(4,5)14(6,7)17-15/h8H,9H2,1-7H3.
What are the key properties of 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one?
2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one has a molecular weight of 236.35 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,6,8,8-heptamethyl-1-oxaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 11172426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).