9-prop-2-enyl-9-undec-2-enylfluorene

C27H34 — CID 91593860

IUPAC9-prop-2-enyl-9-undec-2-enylfluorene
SMILESC=CCC1(CC=CCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H34/c1-3-5-6-7-8-9-10-11-16-22-27(21-4-2)25-19-14-12-17-23(25)24-18-13-15-20-26(24)27/h4,11-20H,2-3,5-10,21-22H2,1H3
InChIKeyIKVITUXVELJYKF-UHFFFAOYSA-N
MW358.57 g/mol
LogP8.23
Rot. Bonds11

About 9-prop-2-enyl-9-undec-2-enylfluorene

9-prop-2-enyl-9-undec-2-enylfluorene (PubChem CID 91593860) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 9-prop-2-enyl-9-undec-2-enylfluorene.

Molecular Properties

Compound Name9-prop-2-enyl-9-undec-2-enylfluorene
PubChem CID91593860
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name9-prop-2-enyl-9-undec-2-enylfluorene
SMILESC=CCC1(CC=CCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H34/c1-3-5-6-7-8-9-10-11-16-22-27(21-4-2)25-19-14-12-17-23(25)24-18-13-15-20-26(24)27/h4,11-20H,2-3,5-10,21-22H2,1H3
InChIKeyIKVITUXVELJYKF-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-prop-2-enyl-9-tridec-2-enylfluorene
CID 91376717
4-[(E)-dodec-2-enyl]-1,2-diphenyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67259837
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289
2,2-dimethyl-5-[(E)-non-2-enyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione
CID 141165841
9-prop-2-enyl-9-tridecan-2-ylfluorene
CID 91582578
(4Z)-dodeca-1,4-diene
CID 12525542
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
pentacosa-1,16-diene
CID 57082437
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentaconta-1,25-diene
CID 90941740

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-9-undec-2-enylfluorene?
The IUPAC name of 9-prop-2-enyl-9-undec-2-enylfluorene (CID 91593860) is 9-prop-2-enyl-9-undec-2-enylfluorene.
What is the SMILES notation for 9-prop-2-enyl-9-undec-2-enylfluorene?
The canonical SMILES for 9-prop-2-enyl-9-undec-2-enylfluorene is C=CCC1(CC=CCCCCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-prop-2-enyl-9-undec-2-enylfluorene?
The InChIKey is IKVITUXVELJYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34/c1-3-5-6-7-8-9-10-11-16-22-27(21-4-2)25-19-14-12-17-23(25)24-18-13-15-20-26(24)27/h4,11-20H,2-3,5-10,21-22H2,1H3.
What are the key properties of 9-prop-2-enyl-9-undec-2-enylfluorene?
9-prop-2-enyl-9-undec-2-enylfluorene has a molecular weight of 358.57 g/mol, XLogP of 8.23, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-9-undec-2-enylfluorene is sourced from PubChem (CID 91593860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).