4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid

C20H16O4 — CID 175370166

IUPAC4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid
SMILESC=C(C=C(C)C(=O)O)C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H16O4/c1-12(19(21)22)11-13(2)20(23)24-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-11,18H,2H2,1H3,(H,21,22)
InChIKeyKWYJCGHKGQPFJZ-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.89
Rot. Bonds4

About 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid

4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid (PubChem CID 175370166) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid
PubChem CID175370166
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid
SMILESC=C(C=C(C)C(=O)O)C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H16O4/c1-12(19(21)22)11-13(2)20(23)24-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-11,18H,2H2,1H3,(H,21,22)
InChIKeyKWYJCGHKGQPFJZ-UHFFFAOYSA-N
XLogP3.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
CID 175278848
2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
CID 174390717
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
acetic acid;9-diazofluorene;9H-fluoren-9-yl acetate;methane;oxalic acid
CID 163890224
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
dibenzyl (E)-2-methyl-4-methylidenepent-2-enedioate
CID 166766307
biphenylene;2-methylprop-2-enoic acid
CID 174864090
9H-fluoren-9-yl 2-phenoxyacetate
CID 7980307
4-butoxycarbonyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid;styrene
CID 87703422
9H-fluoren-9-yl propyl carbonate
CID 175604366
9H-fluoren-9-yl 4-amino-3-methylbenzoate
CID 91682868
4-(1-hydroxyprop-2-enoxycarbonyl)-2-methylpenta-2,4-dienoic acid
CID 87902369

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid?
The IUPAC name of 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid (CID 175370166) is 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid?
The canonical SMILES for 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid is C=C(C=C(C)C(=O)O)C(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid?
The InChIKey is KWYJCGHKGQPFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-12(19(21)22)11-13(2)20(23)24-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-11,18H,2H2,1H3,(H,21,22).
What are the key properties of 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid?
4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid has a molecular weight of 320.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid is sourced from PubChem (CID 175370166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).