[6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate

C20H26O5 — CID 154219378

IUPAC[6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(OC(=O)C(=C)C)C(CCCO)c1ccccc1
InChIInChI=1S/C20H26O5/c1-14(2)18(22)24-20(5,25-19(23)15(3)4)17(12-9-13-21)16-10-7-6-8-11-16/h6-8,10-11,17,21H,1,3,9,12-13H2,2,4-5H3
InChIKeyHFSLFAONVLVAIS-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.50
Rot. Bonds9

About [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate

[6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate (PubChem CID 154219378) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate
PubChem CID154219378
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name[6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(OC(=O)C(=C)C)C(CCCO)c1ccccc1
InChIInChI=1S/C20H26O5/c1-14(2)18(22)24-20(5,25-19(23)15(3)4)17(12-9-13-21)16-10-7-6-8-11-16/h6-8,10-11,17,21H,1,3,9,12-13H2,2,4-5H3
InChIKeyHFSLFAONVLVAIS-UHFFFAOYSA-N
XLogP3.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
ethyl 2-methylprop-2-enoate;2-methyl-3-phenylhexan-2-amine
CID 142295239
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
[1-chloro-2-(dimethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 174880080
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid
CID 174415420
(2-nitro-1-phenylethyl) 2-methylprop-2-enoate
CID 70388318
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
[4-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 87402298

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate (CID 154219378) is [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(OC(=O)C(=C)C)C(CCCO)c1ccccc1.
What is the InChIKey of [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate?
The InChIKey is HFSLFAONVLVAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-14(2)18(22)24-20(5,25-19(23)15(3)4)17(12-9-13-21)16-10-7-6-8-11-16/h6-8,10-11,17,21H,1,3,9,12-13H2,2,4-5H3.
What are the key properties of [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate?
[6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate has a molecular weight of 346.42 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-2-(2-methylprop-2-enoyloxy)-3-phenylhexan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 154219378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).