3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene

C22H32O3 — CID 159606980

IUPAC3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C1C(C)=CC(=O)CC1(C)C.C=C1C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C12H18O2.C10H14O/c1-9-7-12(13-5-6-14-12)8-11(3,4)10(9)2;1-7-5-9(11)6-10(3,4)8(7)2/h7H,2,5-6,8H2,1,3-4H3;5H,2,6H2,1,3-4H3
InChIKeyMMEYBFMRAGZIRU-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.15
Rot. Bonds

About 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene

3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 159606980) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID159606980
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C1C(C)=CC(=O)CC1(C)C.C=C1C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C12H18O2.C10H14O/c1-9-7-12(13-5-6-14-12)8-11(3,4)10(9)2;1-7-5-9(11)6-10(3,4)8(7)2/h7H,2,5-6,8H2,1,3-4H3;5H,2,6H2,1,3-4H3
InChIKeyMMEYBFMRAGZIRU-UHFFFAOYSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[3,6,8,8-tetramethyl-2-[(3E)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-3-(3,7,8-trimethyl-4-methylidenenon-8-enyl)-1,4-dioxaspiro[4.5]dec-6-en-7-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
CID 15385341
2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(2R,3R,5R)-3,6,8,8-tetramethyl-2-[(3E,7R,11R)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-3-[(3S,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]-1,4-dioxaspiro[4.5]dec-6-en-7-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
CID 163063730
2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(2R,3R,5R)-3,6,8,8-tetramethyl-2-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-3-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]-1,4-dioxaspiro[4.5]dec-6-en-7-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
CID 163063731
1,4-Dioxaspiro[4.5]dec-6-en-8-one, 7,9,9-trimethyl-
CID 11769425
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-one
CID 70371890
2,4,4-Trimethyl-3-[2-(2-methyl-[1,3]dioxolan-2-yl)-vinyl]-cyclohex-2-enone
CID 5376816
(2S,3S)-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 21681548
(7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydroindene]-1'-one
CID 134969349
6,6,7,10-Tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 11117312
2,7,9,9-Tetramethyl-1,4-dioxaspiro[4,5]dec-6-en-8-one
CID 13209183
3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-one
CID 51003351
2-(7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ylidene)acetaldehyde
CID 54457203

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene (CID 159606980) is 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene is C=C1C(C)=CC(=O)CC1(C)C.C=C1C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is MMEYBFMRAGZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C10H14O/c1-9-7-12(13-5-6-14-12)8-11(3,4)10(9)2;1-7-5-9(11)6-10(3,4)8(7)2/h7H,2,5-6,8H2,1,3-4H3;5H,2,6H2,1,3-4H3.
What are the key properties of 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 344.50 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one;7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 159606980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).