9-prop-2-enyl-9-tridecan-2-ylfluorene

C29H40 — CID 91582578

IUPAC9-prop-2-enyl-9-tridecan-2-ylfluorene
SMILESC=CCC1(C(C)CCCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H40/c1-4-6-7-8-9-10-11-12-13-18-24(3)29(23-5-2)27-21-16-14-19-25(27)26-20-15-17-22-28(26)29/h5,14-17,19-22,24H,2,4,6-13,18,23H2,1,3H3
InChIKeyZVDSAYMKAPIGCE-UHFFFAOYSA-N
MW388.64 g/mol
LogP9.09
Rot. Bonds13

About 9-prop-2-enyl-9-tridecan-2-ylfluorene

9-prop-2-enyl-9-tridecan-2-ylfluorene (PubChem CID 91582578) has the molecular formula C29H40 and a molecular weight of 388.64 g/mol. Its IUPAC name is 9-prop-2-enyl-9-tridecan-2-ylfluorene.

Molecular Properties

Compound Name9-prop-2-enyl-9-tridecan-2-ylfluorene
PubChem CID91582578
Molecular FormulaC29H40
Molecular Weight388.64 g/mol
Exact Mass388.31
IUPAC Name9-prop-2-enyl-9-tridecan-2-ylfluorene
SMILESC=CCC1(C(C)CCCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H40/c1-4-6-7-8-9-10-11-12-13-18-24(3)29(23-5-2)27-21-16-14-19-25(27)26-20-15-17-22-28(26)29/h5,14-17,19-22,24H,2,4,6-13,18,23H2,1,3H3
InChIKeyZVDSAYMKAPIGCE-UHFFFAOYSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 59.09
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
9-prop-2-enyl-9-undec-2-enylfluorene
CID 91593860
but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene
CID 144803694
2-[9-(methoxymethyl)fluoren-9-yl]heptanal
CID 174662792
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289
9-ethyl-9-propan-2-ylfluorene
CID 142424661
1-bromo-9,9-bis(1-bromohexyl)fluorene
CID 141422780
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
2-ethyltridecyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90408527
7-decan-2-yl-7-methylbenzo[7]annulene
CID 142436722
tetradec-13-en-7-ylbenzene
CID 140694824

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-9-tridecan-2-ylfluorene?
The IUPAC name of 9-prop-2-enyl-9-tridecan-2-ylfluorene (CID 91582578) is 9-prop-2-enyl-9-tridecan-2-ylfluorene.
What is the SMILES notation for 9-prop-2-enyl-9-tridecan-2-ylfluorene?
The canonical SMILES for 9-prop-2-enyl-9-tridecan-2-ylfluorene is C=CCC1(C(C)CCCCCCCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-prop-2-enyl-9-tridecan-2-ylfluorene?
The InChIKey is ZVDSAYMKAPIGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40/c1-4-6-7-8-9-10-11-12-13-18-24(3)29(23-5-2)27-21-16-14-19-25(27)26-20-15-17-22-28(26)29/h5,14-17,19-22,24H,2,4,6-13,18,23H2,1,3H3.
What are the key properties of 9-prop-2-enyl-9-tridecan-2-ylfluorene?
9-prop-2-enyl-9-tridecan-2-ylfluorene has a molecular weight of 388.64 g/mol, XLogP of 9.09, 13 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-tridecan-2-ylfluorene is sourced from PubChem (CID 91582578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).