[2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)

C45H50O10Y12-2 — CID 158398671

IUPAC[2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)
SMILESC=C(C)C(=O)OCC(O)CO[CH-]COC.C=C(C)C(=O)OCC(O)CO[CH-]COc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C35H33O5.C10H17O5.12Y/c1-24(2)34(37)40-23-28(36)22-38-20-21-39-29-18-16-27(17-19-29)35(26-14-12-25(3)13-15-26)32-10-6-4-8-30(32)31-9-5-7-11-33(31)35;1-8(2)10(12)15-7-9(11)6-14-5-4-13-3;;;;;;;;;;;;/h4-20,28,36H,1,21-23H2,2-3H3;5,9,11H,1,4,6-7H2,2-3H3;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;
InChIKeyFYZUPEWAZZCVBL-UHFFFAOYSA-N
MW1817.76 g/mol
LogP6.66
Rot. Bonds19

About [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)

[2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium) (PubChem CID 158398671) has the molecular formula C45H50O10Y12-2 and a molecular weight of 1817.76 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium).

Molecular Properties

Compound Name[2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)
PubChem CID158398671
Molecular FormulaC45H50O10Y12-2
Molecular Weight1817.76 g/mol
Exact Mass1817.21
IUPAC Name[2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)
SMILESC=C(C)C(=O)OCC(O)CO[CH-]COC.C=C(C)C(=O)OCC(O)CO[CH-]COc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C35H33O5.C10H17O5.12Y/c1-24(2)34(37)40-23-28(36)22-38-20-21-39-29-18-16-27(17-19-29)35(26-14-12-25(3)13-15-26)32-10-6-4-8-30(32)31-9-5-7-11-33(31)35;1-8(2)10(12)15-7-9(11)6-14-5-4-13-3;;;;;;;;;;;;/h4-20,28,36H,1,21-23H2,2-3H3;5,9,11H,1,4,6-7H2,2-3H3;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;
InChIKeyFYZUPEWAZZCVBL-UHFFFAOYSA-N
XLogP6.66
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001817.76
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-[2-hydroxy-3-[4-[9-[4-[2-hydroxy-3-[6-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonylcyclohex-3-ene-1-carbonyl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]propoxy]carbonylcyclohex-3-ene-1-carboxylic acid;1-O-[2-hydroxy-3-[4-[9-[4-[2-hydroxy-3-[6-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonylcyclohex-3-ene-1-carbonyl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] 2-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] cyclohex-4-ene-1,2-dicarboxylate
CID 158105822
[2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 156762586
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol
CID 71003810
[3-(4-tert-butylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 157088737
[2-hydroxy-3-[4-[9-[4-[2-hydroxy-3-[3-[6-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonylcyclohex-3-en-1-yl]-2-methylbutan-2-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] 6-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3-methylbutan-2-yl]cyclohex-3-ene-1-carboxylate
CID 146671854
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982
2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 135250995
1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546
[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 76556549
[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 59609170
[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenyl] 2-methylprop-2-eneperoxoate
CID 118227614

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)?
The IUPAC name of [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium) (CID 158398671) is [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium).
What is the SMILES notation for [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)?
The canonical SMILES for [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium) is C=C(C)C(=O)OCC(O)CO[CH-]COC.C=C(C)C(=O)OCC(O)CO[CH-]COc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)?
The InChIKey is FYZUPEWAZZCVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33O5.C10H17O5.12Y/c1-24(2)34(37)40-23-28(36)22-38-20-21-39-29-18-16-27(17-19-29)35(26-14-12-25(3)13-15-26)32-10-6-4-8-30(32)31-9-5-7-11-33(31)35;1-8(2)10(12)15-7-9(11)6-14-5-4-13-3;;;;;;;;;;;;/h4-20,28,36H,1,21-23H2,2-3H3;5,9,11H,1,4,6-7H2,2-3H3;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;.
What are the key properties of [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)?
[2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium) has a molecular weight of 1817.76 g/mol, XLogP of 6.66, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium) is sourced from PubChem (CID 158398671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).