2-hex-5-enyl-7-pent-4-enyl-9H-fluorene

C24H28 — CID 139836976

IUPAC2-hex-5-enyl-7-pent-4-enyl-9H-fluorene
SMILESC=CCCCCc1ccc2c(c1)Cc1cc(CCCC=C)ccc1-2
InChIInChI=1S/C24H28/c1-3-5-7-9-11-20-13-15-24-22(17-20)18-21-16-19(10-8-6-4-2)12-14-23(21)24/h3-4,12-17H,1-2,5-11,18H2
InChIKeyCYBWDTSFJNYFRE-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.67
Rot. Bonds9

About 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene

2-hex-5-enyl-7-pent-4-enyl-9H-fluorene (PubChem CID 139836976) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene.

Molecular Properties

Compound Name2-hex-5-enyl-7-pent-4-enyl-9H-fluorene
PubChem CID139836976
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name2-hex-5-enyl-7-pent-4-enyl-9H-fluorene
SMILESC=CCCCCc1ccc2c(c1)Cc1cc(CCCC=C)ccc1-2
InChIInChI=1S/C24H28/c1-3-5-7-9-11-20-13-15-24-22(17-20)18-21-16-19(10-8-6-4-2)12-14-23(21)24/h3-4,12-17H,1-2,5-11,18H2
InChIKeyCYBWDTSFJNYFRE-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.67
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

2-but-3-enyl-7-pent-4-enyl-9H-fluorene
CID 139836987
2-hex-5-enyl-7-pent-4-enylphenanthrene
CID 139836992
2-dodec-11-enylnaphthalene
CID 101307470
6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine
CID 18786561
5-hept-6-enyl-1,3-benzodioxole
CID 18786525
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
3-[4-[4-(7-pentyl-9H-fluoren-2-yl)phenyl]phenoxy]propyl prop-2-enoate
CID 23527476
4-tetradec-13-enylphenol
CID 157380665
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-decyl-4-oct-7-enylbenzene
CID 91553239

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene?
The IUPAC name of 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene (CID 139836976) is 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene.
What is the SMILES notation for 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene?
The canonical SMILES for 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene is C=CCCCCc1ccc2c(c1)Cc1cc(CCCC=C)ccc1-2.
What is the InChIKey of 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene?
The InChIKey is CYBWDTSFJNYFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-3-5-7-9-11-20-13-15-24-22(17-20)18-21-16-19(10-8-6-4-2)12-14-23(21)24/h3-4,12-17H,1-2,5-11,18H2.
What are the key properties of 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene?
2-hex-5-enyl-7-pent-4-enyl-9H-fluorene has a molecular weight of 316.49 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-7-pent-4-enyl-9H-fluorene is sourced from PubChem (CID 139836976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).