6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one

C15H24O2 — CID 578234

IUPAC6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C(C)C1CCC(C)C12CC(C(C)C)C(=O)O2
InChIInChI=1S/C15H24O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyJBUPYYZICGGNGI-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.57
Rot. Bonds2

About 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one

6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 578234) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
PubChem CID578234
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C(C)C1CCC(C)C12CC(C(C)C)C(=O)O2
InChIInChI=1S/C15H24O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyJBUPYYZICGGNGI-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Curcumanolide A
CID 14191393
Curcumanolides A
CID 10014272
Curcumanolides B
CID 14191394
Curcumalactone
CID 15071433
(1R,5S,10S,13S)-13-methyl-4,9-dimethylidene-2-oxatricyclo[8.3.0.01,5]tridecan-3-one
CID 171344322
(3S,5S,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
CID 101618788
(1S,5S,10R,13R)-13-methyl-4,9-dimethylidene-2-oxatricyclo[8.3.0.01,5]tridecan-3-one
CID 162892517
(1R,5R,10S,13S)-13-methyl-4,9-dimethylidene-2-oxatricyclo[8.3.0.01,5]tridecan-3-one
CID 46872829
3-Oxabicyclo[3.3.0]octan-2-one, 7-methylene-4,4-dimethyl-
CID 556218
(6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 11074246
methyl (6S,9S)-6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 11322659
6,9-Bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 15111631

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one (CID 578234) is 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one is C=C(C)C1CCC(C)C12CC(C(C)C)C(=O)O2.
What is the InChIKey of 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is JBUPYYZICGGNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3.
What are the key properties of 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 578234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).