[4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate

C30H32O8 — CID 130280777

IUPAC[4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OC(O)C(=C)C)c2c(c1)C(C)c1cc(OC(O)C(=C)C)cc(OC(=O)C(=C)C)c1-2
InChIInChI=1S/C30H32O8/c1-14(2)27(31)35-19-10-21-18(9)22-11-20(36-28(32)15(3)4)13-24(38-30(34)17(7)8)26(22)25(21)23(12-19)37-29(33)16(5)6/h10-13,18,27,30-31,34H,1,3,5,7H2,2,4,6,8-9H3
InChIKeyBXFFSMKCKCUHOC-UHFFFAOYSA-N
MW520.58 g/mol
LogP5.33
Rot. Bonds10

About [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate

[4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate (PubChem CID 130280777) has the molecular formula C30H32O8 and a molecular weight of 520.58 g/mol. Its IUPAC name is [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate
PubChem CID130280777
Molecular FormulaC30H32O8
Molecular Weight520.58 g/mol
Exact Mass520.21
IUPAC Name[4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OC(O)C(=C)C)c2c(c1)C(C)c1cc(OC(O)C(=C)C)cc(OC(=O)C(=C)C)c1-2
InChIInChI=1S/C30H32O8/c1-14(2)27(31)35-19-10-21-18(9)22-11-20(36-28(32)15(3)4)13-24(38-30(34)17(7)8)26(22)25(21)23(12-19)37-29(33)16(5)6/h10-13,18,27,30-31,34H,1,3,5,7H2,2,4,6,8-9H3
InChIKeyBXFFSMKCKCUHOC-UHFFFAOYSA-N
XLogP5.33
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(1-hydroxy-2-methylprop-2-enoxy)-5-[(E)-3-[4-(1-hydroxy-2-methylprop-2-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
CID 130281894
[4-[4-[4-(1-hydroxy-2-methylprop-2-enoxy)-2-(2-methylprop-2-enoyloxy)phenyl]-2-methylsulfanylphenyl]phenyl] 2-methylprop-2-enoate
CID 166651116
[4-[4-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] 2-methylprop-2-enoate
CID 135133350
[4-[2-fluoro-4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 126595774
[4-[4-(1-hydroxy-2-methylprop-2-enoxy)-2-prop-1-en-2-ylphenyl]phenyl] 2-methylprop-2-enoate
CID 170273714
[4-[2-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]ethynyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 163941660
[4-[3-fluoro-4-[3-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 126748286
[9-methyl-6,8-bis(2-methylprop-2-enoyloxy)-3,9-dihydrofluoren-3-id-1-yl] 2-methylprop-2-enoate;2-methylprop-2-en-1-one;uranium(2+)
CID 163892503
2-(2-methylprop-2-enoyloxy)ethyl 4-[4-(1-hydroxy-2-methylprop-2-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]benzoate
CID 139556293
[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate
CID 67472341
[4-[2-[4-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]ethenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 123832277
[2-[4-(2-methylprop-2-enoyloxy)phenyl]-5-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylpropanoate
CID 144772065

Frequently Asked Questions

What is the IUPAC name of [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate (CID 130280777) is [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(OC(O)C(=C)C)c2c(c1)C(C)c1cc(OC(O)C(=C)C)cc(OC(=O)C(=C)C)c1-2.
What is the InChIKey of [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate?
The InChIKey is BXFFSMKCKCUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O8/c1-14(2)27(31)35-19-10-21-18(9)22-11-20(36-28(32)15(3)4)13-24(38-30(34)17(7)8)26(22)25(21)23(12-19)37-29(33)16(5)6/h10-13,18,27,30-31,34H,1,3,5,7H2,2,4,6,8-9H3.
What are the key properties of [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate?
[4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate has a molecular weight of 520.58 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,7-bis(1-hydroxy-2-methylprop-2-enoxy)-9-methyl-5-(2-methylprop-2-enoyloxy)-9H-fluoren-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 130280777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).