4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane

C24H30 — CID 142508908

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane
SMILESC.C.C=C/C(=C\C=C/C)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C22H22.2CH4/c1-5-7-11-16(6-2)17-13-10-15-20-21(17)18-12-8-9-14-19(18)22(20,3)4;;/h5-15H,2H2,1,3-4H3;2*1H4/b7-5-,16-11+;;
InChIKeyYFVDXCMGGHTONW-OSDVCTNISA-N
MW318.50 g/mol
LogP7.41
Rot. Bonds3

About 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane

4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane (PubChem CID 142508908) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane
PubChem CID142508908
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane
SMILESC.C.C=C/C(=C\C=C/C)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C22H22.2CH4/c1-5-7-11-16(6-2)17-13-10-15-20-21(17)18-12-8-9-14-19(18)22(20,3)4;;/h5-15H,2H2,1,3-4H3;2*1H4/b7-5-,16-11+;;
InChIKeyYFVDXCMGGHTONW-OSDVCTNISA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]aniline
CID 144768170
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
4-(4-buta-1,3-dien-2-ylphenyl)-9,9-dimethylfluorene
CID 153369240
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-7-iodo-9,9-dimethylfluorene
CID 89176944
9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369615
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356499
9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene
CID 142585263
ethane;4,9,9-trimethylfluorene
CID 123917181
2-[(1E,3E,5Z)-1-iodohepta-1,3,5-trien-4-yl]-9,9-dimethylfluorene
CID 89161500
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane (CID 142508908) is 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane is C.C.C=C/C(=C\C=C/C)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane?
The InChIKey is YFVDXCMGGHTONW-OSDVCTNISA-N. The full InChI is InChI=1S/C22H22.2CH4/c1-5-7-11-16(6-2)17-13-10-15-20-21(17)18-12-8-9-14-19(18)22(20,3)4;;/h5-15H,2H2,1,3-4H3;2*1H4/b7-5-,16-11+;;.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane?
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane has a molecular weight of 318.50 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane is sourced from PubChem (CID 142508908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).