3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane

C21H24O — CID 153369649

IUPAC3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane
SMILESC=CC(=C)c1ccc2c(c1)-c1ccccc1C2(C)C.COC
InChIInChI=1S/C19H18.C2H6O/c1-5-13(2)14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18,3)4;1-3-2/h5-12H,1-2H2,3-4H3;1-2H3
InChIKeyQGNSSDXZZSOYTC-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.45
Rot. Bonds2

About 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane

3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane (PubChem CID 153369649) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane.

Molecular Properties

Compound Name3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane
PubChem CID153369649
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane
SMILESC=CC(=C)c1ccc2c(c1)-c1ccccc1C2(C)C.COC
InChIInChI=1S/C19H18.C2H6O/c1-5-13(2)14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18,3)4;1-3-2/h5-12H,1-2H2,3-4H3;1-2H3
InChIKeyQGNSSDXZZSOYTC-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;2,4-dimethyl-1-benzothiophene
CID 153368961
4-(4-buta-1,3-dien-2-ylphenyl)-9,9-dimethylfluorene
CID 153369240
5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene
CID 144938882
N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine
CID 135227648
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
CID 153369638
3-(3-buta-1,3-dien-2-ylphenyl)-9,9'-spirobi[fluorene]
CID 153369042
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
3-fluoro-9,9-dimethylfluorene
CID 130217991
9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369615
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960

Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane?
The IUPAC name of 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane (CID 153369649) is 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane.
What is the SMILES notation for 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane?
The canonical SMILES for 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane is C=CC(=C)c1ccc2c(c1)-c1ccccc1C2(C)C.COC.
What is the InChIKey of 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane?
The InChIKey is QGNSSDXZZSOYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18.C2H6O/c1-5-13(2)14-10-11-18-16(12-14)15-8-6-7-9-17(15)19(18,3)4;1-3-2/h5-12H,1-2H2,3-4H3;1-2H3.
What are the key properties of 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane?
3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane has a molecular weight of 292.42 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane is sourced from PubChem (CID 153369649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).