9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one

C28H30O — CID 144788765

IUPAC9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one
SMILESCCC(CC)CCC1c2ccc(C3=CCC=C3)cc2-c2c1ccc1c2CCC1=O
InChIInChI=1S/C28H30O/c1-3-18(4-2)9-11-21-22-12-10-20(19-7-5-6-8-19)17-26(22)28-24(21)14-13-23-25(28)15-16-27(23)29/h5,7-8,10,12-14,17-18,21H,3-4,6,9,11,15-16H2,1-2H3
InChIKeyFQRRPXZFFKQWGW-UHFFFAOYSA-N
MW382.55 g/mol
LogP7.49
Rot. Bonds6

About 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one

9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one (PubChem CID 144788765) has the molecular formula C28H30O and a molecular weight of 382.55 g/mol. Its IUPAC name is 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one.

Molecular Properties

Compound Name9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one
PubChem CID144788765
Molecular FormulaC28H30O
Molecular Weight382.55 g/mol
Exact Mass382.23
IUPAC Name9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one
SMILESCCC(CC)CCC1c2ccc(C3=CCC=C3)cc2-c2c1ccc1c2CCC1=O
InChIInChI=1S/C28H30O/c1-3-18(4-2)9-11-21-22-12-10-20(19-7-5-6-8-19)17-26(22)28-24(21)14-13-23-25(28)15-16-27(23)29/h5,7-8,10,12-14,17-18,21H,3-4,6,9,11,15-16H2,1-2H3
InChIKeyFQRRPXZFFKQWGW-UHFFFAOYSA-N
XLogP7.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one?
The IUPAC name of 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one (CID 144788765) is 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one.
What is the SMILES notation for 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one?
The canonical SMILES for 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one is CCC(CC)CCC1c2ccc(C3=CCC=C3)cc2-c2c1ccc1c2CCC1=O.
What is the InChIKey of 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one?
The InChIKey is FQRRPXZFFKQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O/c1-3-18(4-2)9-11-21-22-12-10-20(19-7-5-6-8-19)17-26(22)28-24(21)14-13-23-25(28)15-16-27(23)29/h5,7-8,10,12-14,17-18,21H,3-4,6,9,11,15-16H2,1-2H3.
What are the key properties of 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one?
9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one has a molecular weight of 382.55 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one is sourced from PubChem (CID 144788765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).