5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate

C25H30O4 — CID 23527521

IUPAC5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCOc1ccc2c(c1)Cc1cc(OCCC)ccc1-2
InChIInChI=1S/C25H30O4/c1-4-12-27-21-8-10-23-19(16-21)15-20-17-22(9-11-24(20)23)28-13-6-5-7-14-29-25(26)18(2)3/h8-11,16-17H,2,4-7,12-15H2,1,3H3
InChIKeyMMNOTQIXQVTMKK-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.72
Rot. Bonds11

About 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate

5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate (PubChem CID 23527521) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate
PubChem CID23527521
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCOc1ccc2c(c1)Cc1cc(OCCC)ccc1-2
InChIInChI=1S/C25H30O4/c1-4-12-27-21-8-10-23-19(16-21)15-20-17-22(9-11-24(20)23)28-13-6-5-7-14-29-25(26)18(2)3/h8-11,16-17H,2,4-7,12-15H2,1,3H3
InChIKeyMMNOTQIXQVTMKK-UHFFFAOYSA-N
XLogP5.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

propyl 7-heptoxy-9H-fluorene-2-carboxylate
CID 69416296
7-decoxy-9H-fluorene-2-carboxylic acid
CID 22153912
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
(4-butoxyphenyl) 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate
CID 122403245
[4-[10-(2-methylprop-2-enoyloxy)decoxy]phenyl] 4-hexoxybenzoate
CID 102272400
[9,9-dimethyl-7-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyfluoren-2-yl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 121308051
6-[4-[(4-pentoxyphenyl)diazenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101248287
3-methyl-1-[[7-(3-methyl-2-oxobut-3-enoxy)-9H-fluoren-2-yl]oxy]but-3-en-2-one
CID 121338847
phenyl 6-[12-(2-methylprop-2-enoyloxy)dodecoxy]naphthalene-2-carboxylate
CID 100974126
[4-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]phenyl] 4-butoxybenzoate
CID 101260763
[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-hexoxybenzoate
CID 58019596

Frequently Asked Questions

What is the IUPAC name of 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate (CID 23527521) is 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCOc1ccc2c(c1)Cc1cc(OCCC)ccc1-2.
What is the InChIKey of 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate?
The InChIKey is MMNOTQIXQVTMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-4-12-27-21-8-10-23-19(16-21)15-20-17-22(9-11-24(20)23)28-13-6-5-7-14-29-25(26)18(2)3/h8-11,16-17H,2,4-7,12-15H2,1,3H3.
What are the key properties of 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate?
5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate has a molecular weight of 394.51 g/mol, XLogP of 5.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 23527521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).