1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one

C22H22O — CID 174822962

IUPAC1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one
SMILESC=CCC1(CC=C)c2ccccc2-c2ccc(CC(C)=O)cc21
InChIInChI=1S/C22H22O/c1-4-12-22(13-5-2)20-9-7-6-8-18(20)19-11-10-17(14-16(3)23)15-21(19)22/h4-11,15H,1-2,12-14H2,3H3
InChIKeyUWRWMWNMZCIMQW-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.24
Rot. Bonds6

About 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one

1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one (PubChem CID 174822962) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one
PubChem CID174822962
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one
SMILESC=CCC1(CC=C)c2ccccc2-c2ccc(CC(C)=O)cc21
InChIInChI=1S/C22H22O/c1-4-12-22(13-5-2)20-9-7-6-8-18(20)19-11-10-17(14-16(3)23)15-21(19)22/h4-11,15H,1-2,12-14H2,3H3
InChIKeyUWRWMWNMZCIMQW-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one
CID 159769253
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
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
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432
2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene
CID 178181307
1-[7-(hydroxymethyl)-9,9-bis(prop-2-enyl)fluoren-2-yl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 160946733
6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
CID 155763593
9-prop-2-enyl-9-tridec-2-enylfluorene
CID 91376717
3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
CID 1203583
9-prop-2-enyl-9-undec-2-enylfluorene
CID 91593860
1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone
CID 129094188
1-(4-ethenylphenyl)propan-2-one
CID 70398942

Frequently Asked Questions

What is the IUPAC name of 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one?
The IUPAC name of 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one (CID 174822962) is 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one.
What is the SMILES notation for 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one?
The canonical SMILES for 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one is C=CCC1(CC=C)c2ccccc2-c2ccc(CC(C)=O)cc21.
What is the InChIKey of 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one?
The InChIKey is UWRWMWNMZCIMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-4-12-22(13-5-2)20-9-7-6-8-18(20)19-11-10-17(14-16(3)23)15-21(19)22/h4-11,15H,1-2,12-14H2,3H3.
What are the key properties of 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one?
1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one has a molecular weight of 302.42 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one is sourced from PubChem (CID 174822962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).