carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate

C24H21ClO6 — CID 54393573

IUPACcarbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate
SMILESCCC=CC=COCC(=O)C(OC(=O)OC(=O)Cl)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21ClO6/c1-2-3-4-9-14-29-15-20(26)22(30-24(28)31-23(25)27)21-18-12-7-5-10-16(18)17-11-6-8-13-19(17)21/h3-14,21-22H,2,15H2,1H3
InChIKeyVIJAEBHSEMCVAZ-UHFFFAOYSA-N
MW440.88 g/mol
LogP5.75
Rot. Bonds8

About carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate

carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate (PubChem CID 54393573) has the molecular formula C24H21ClO6 and a molecular weight of 440.88 g/mol. Its IUPAC name is carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate.

Molecular Properties

Compound Namecarbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate
PubChem CID54393573
Molecular FormulaC24H21ClO6
Molecular Weight440.88 g/mol
Exact Mass440.10
IUPAC Namecarbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate
SMILESCCC=CC=COCC(=O)C(OC(=O)OC(=O)Cl)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21ClO6/c1-2-3-4-9-14-29-15-20(26)22(30-24(28)31-23(25)27)21-18-12-7-5-10-16(18)17-11-6-8-13-19(17)21/h3-14,21-22H,2,15H2,1H3
InChIKeyVIJAEBHSEMCVAZ-UHFFFAOYSA-N
XLogP5.75
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.88
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
CID 175546905
[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
CID 56631789
9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate
CID 90963372
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716
2-(9H-fluoren-9-yl)propan-1-ol
CID 147445819
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
CID 23629522
dipentyl 2,3-bis(9H-fluoren-9-yl)butanedioate
CID 174985564
(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid
CID 71654615
9H-fluoren-9-ylmethoxy carbonochloridate
CID 22145274

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate?
The IUPAC name of carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate (CID 54393573) is carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate.
What is the SMILES notation for carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate?
The canonical SMILES for carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate is CCC=CC=COCC(=O)C(OC(=O)OC(=O)Cl)C1c2ccccc2-c2ccccc21.
What is the InChIKey of carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate?
The InChIKey is VIJAEBHSEMCVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClO6/c1-2-3-4-9-14-29-15-20(26)22(30-24(28)31-23(25)27)21-18-12-7-5-10-16(18)17-11-6-8-13-19(17)21/h3-14,21-22H,2,15H2,1H3.
What are the key properties of carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate?
carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate has a molecular weight of 440.88 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate is sourced from PubChem (CID 54393573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).