9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride

C24H28Cl2 — CID 174295322

IUPAC9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride
SMILESCCCCC(C)(C1=CC=CC1)C1c2ccccc2-c2ccccc21.Cl.Cl
InChIInChI=1S/C24H26.2ClH/c1-3-4-17-24(2,18-11-5-6-12-18)23-21-15-9-7-13-19(21)20-14-8-10-16-22(20)23;;/h5-11,13-16,23H,3-4,12,17H2,1-2H3;2*1H
InChIKeyUMFWTSTZPZHDDW-UHFFFAOYSA-N
MW387.39 g/mol
LogP7.73
Rot. Bonds5

About 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride

9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride (PubChem CID 174295322) has the molecular formula C24H28Cl2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride.

Molecular Properties

Compound Name9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride
PubChem CID174295322
Molecular FormulaC24H28Cl2
Molecular Weight387.39 g/mol
Exact Mass386.16
IUPAC Name9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride
SMILESCCCCC(C)(C1=CC=CC1)C1c2ccccc2-c2ccccc21.Cl.Cl
InChIInChI=1S/C24H26.2ClH/c1-3-4-17-24(2,18-11-5-6-12-18)23-21-15-9-7-13-19(21)20-14-8-10-16-22(20)23;;/h5-11,13-16,23H,3-4,12,17H2,1-2H3;2*1H
InChIKeyUMFWTSTZPZHDDW-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride?
The IUPAC name of 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride (CID 174295322) is 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride.
What is the SMILES notation for 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride?
The canonical SMILES for 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride is CCCCC(C)(C1=CC=CC1)C1c2ccccc2-c2ccccc21.Cl.Cl.
What is the InChIKey of 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride?
The InChIKey is UMFWTSTZPZHDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26.2ClH/c1-3-4-17-24(2,18-11-5-6-12-18)23-21-15-9-7-13-19(21)20-14-8-10-16-22(20)23;;/h5-11,13-16,23H,3-4,12,17H2,1-2H3;2*1H.
What are the key properties of 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride?
9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride has a molecular weight of 387.39 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride is sourced from PubChem (CID 174295322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).