1-hept-1-en-2-yl-9H-fluorene

C20H22 — CID 90871277

IUPAC1-hept-1-en-2-yl-9H-fluorene
SMILESC=C(CCCCC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C20H22/c1-3-4-5-9-15(2)17-12-8-13-19-18-11-7-6-10-16(18)14-20(17)19/h6-8,10-13H,2-5,9,14H2,1H3
InChIKeyLFVQFXJKUUZHFR-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.85
Rot. Bonds5

About 1-hept-1-en-2-yl-9H-fluorene

1-hept-1-en-2-yl-9H-fluorene (PubChem CID 90871277) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-hept-1-en-2-yl-9H-fluorene.

Molecular Properties

Compound Name1-hept-1-en-2-yl-9H-fluorene
PubChem CID90871277
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-hept-1-en-2-yl-9H-fluorene
SMILESC=C(CCCCC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C20H22/c1-3-4-5-9-15(2)17-12-8-13-19-18-11-7-6-10-16(18)14-20(17)19/h6-8,10-13H,2-5,9,14H2,1H3
InChIKeyLFVQFXJKUUZHFR-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
9H-fluorene;henicosane
CID 174789372
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
CID 150228680
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
bis(9H-fluorene);pentane
CID 159146463
1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene
CID 87814844
1-nona-3,8-dien-3-yl-9H-fluorene
CID 150361439
N,N-dimethylbutan-1-amine;9H-fluoren-1-ol
CID 67975331
9H-fluorene-1-thiol;pentan-1-amine
CID 175214866
2-(9H-fluoren-1-yl)hex-2-enoic acid
CID 150307642

Frequently Asked Questions

What is the IUPAC name of 1-hept-1-en-2-yl-9H-fluorene?
The IUPAC name of 1-hept-1-en-2-yl-9H-fluorene (CID 90871277) is 1-hept-1-en-2-yl-9H-fluorene.
What is the SMILES notation for 1-hept-1-en-2-yl-9H-fluorene?
The canonical SMILES for 1-hept-1-en-2-yl-9H-fluorene is C=C(CCCCC)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-hept-1-en-2-yl-9H-fluorene?
The InChIKey is LFVQFXJKUUZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-3-4-5-9-15(2)17-12-8-13-19-18-11-7-6-10-16(18)14-20(17)19/h6-8,10-13H,2-5,9,14H2,1H3.
What are the key properties of 1-hept-1-en-2-yl-9H-fluorene?
1-hept-1-en-2-yl-9H-fluorene has a molecular weight of 262.40 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-1-en-2-yl-9H-fluorene is sourced from PubChem (CID 90871277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).