10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate

C26H32O3 — CID 150960043

IUPAC10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCCCCCCCCCCO)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H32O3/c1-20(26(28)29-18-11-7-5-3-2-4-6-10-17-27)22-15-12-16-24-23-14-9-8-13-21(23)19-25(22)24/h8-9,12-16,27H,1-7,10-11,17-19H2
InChIKeyLLXCOBAPOBBDRR-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.93
Rot. Bonds12

About 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate

10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate (PubChem CID 150960043) has the molecular formula C26H32O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate.

Molecular Properties

Compound Name10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate
PubChem CID150960043
Molecular FormulaC26H32O3
Molecular Weight392.54 g/mol
Exact Mass392.24
IUPAC Name10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCCCCCCCCCCO)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H32O3/c1-20(26(28)29-18-11-7-5-3-2-4-6-10-17-27)22-15-12-16-24-23-14-9-8-13-21(23)19-25(22)24/h8-9,12-16,27H,1-7,10-11,17-19H2
InChIKeyLLXCOBAPOBBDRR-UHFFFAOYSA-N
XLogP5.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
9H-fluorene-1-carboxamide
CID 18474131
1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene
CID 87814844
butane-1,4-diol;9H-fluorene
CID 158933795
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
benzyl 9H-fluorene-1-carboxylate
CID 148546959
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-hept-1-en-2-yl-9H-fluorene
CID 90871277
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
9H-fluoren-1-yl 2,3,3-tris(9H-fluoren-1-yl)prop-2-enoate
CID 150920620

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate?
The IUPAC name of 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate (CID 150960043) is 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate.
What is the SMILES notation for 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate?
The canonical SMILES for 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate is C=C(C(=O)OCCCCCCCCCCO)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate?
The InChIKey is LLXCOBAPOBBDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O3/c1-20(26(28)29-18-11-7-5-3-2-4-6-10-17-27)22-15-12-16-24-23-14-9-8-13-21(23)19-25(22)24/h8-9,12-16,27H,1-7,10-11,17-19H2.
What are the key properties of 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate?
10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate has a molecular weight of 392.54 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate is sourced from PubChem (CID 150960043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).