9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene

C20H20 — CID 143006458

IUPAC9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
SMILESC/C=C\C(=C/C)C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20/c1-4-10-15(5-2)20(3)18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h4-14H,1-3H3/b10-4-,15-5+
InChIKeyIHXPJBCTUWRPRW-KIOUGKFCSA-N
MW260.38 g/mol
LogP5.50
Rot. Bonds2

About 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene

9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene (PubChem CID 143006458) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene.

Molecular Properties

Compound Name9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
PubChem CID143006458
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
SMILESC/C=C\C(=C/C)C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20/c1-4-10-15(5-2)20(3)18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h4-14H,1-3H3/b10-4-,15-5+
InChIKeyIHXPJBCTUWRPRW-KIOUGKFCSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.50
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-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene
CID 144746927
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
CID 144566390
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene
CID 167484417
methane;9-methylfluoren-9-ol
CID 160708378
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]-2-phenylisoindol-1-one
CID 139447254
9-cyclohexa-1,5-dien-3-yn-1-yl-9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]fluorene
CID 144983528
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369615
ethane;9-fluoro-9-methylfluorene
CID 163249751
9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene
CID 144868037
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031

Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene?
The IUPAC name of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene (CID 143006458) is 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene.
What is the SMILES notation for 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene?
The canonical SMILES for 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene is C/C=C\C(=C/C)C1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene?
The InChIKey is IHXPJBCTUWRPRW-KIOUGKFCSA-N. The full InChI is InChI=1S/C20H20/c1-4-10-15(5-2)20(3)18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h4-14H,1-3H3/b10-4-,15-5+.
What are the key properties of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene?
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene has a molecular weight of 260.38 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene is sourced from PubChem (CID 143006458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).