N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate

C59H60ClNO9 — CID 160791360

IUPACN,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)Cl.C=C(C)C(=O)Oc1ccc2cc(Oc3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1.CCN(CC)CC.Oc1ccc2cc(Oc3ccc4cc(O)ccc4c3)ccc2c1
InChIInChI=1S/C28H22O5.C20H14O3.C6H15N.C4H5ClO.CH4/c1-17(2)27(29)32-25-11-7-19-13-23(9-5-21(19)15-25)31-24-10-6-22-16-26(12-8-20(22)14-24)33-28(30)18(3)4;21-17-5-1-15-11-19(7-3-13(15)9-17)23-20-8-4-14-10-18(22)6-2-16(14)12-20;1-4-7(5-2)6-3;1-3(2)4(5)6;/h5-16H,1,3H2,2,4H3;1-12,21-22H;4-6H2,1-3H3;1H2,2H3;1H4
InChIKeySBWCKNKVXUAHHT-UHFFFAOYSA-N
MW962.58 g/mol
LogP15.26
Rot. Bonds12

About N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate

N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 160791360) has the molecular formula C59H60ClNO9 and a molecular weight of 962.58 g/mol. Its IUPAC name is N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound NameN,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID160791360
Molecular FormulaC59H60ClNO9
Molecular Weight962.58 g/mol
Exact Mass961.40
IUPAC NameN,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)Cl.C=C(C)C(=O)Oc1ccc2cc(Oc3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1.CCN(CC)CC.Oc1ccc2cc(Oc3ccc4cc(O)ccc4c3)ccc2c1
InChIInChI=1S/C28H22O5.C20H14O3.C6H15N.C4H5ClO.CH4/c1-17(2)27(29)32-25-11-7-19-13-23(9-5-21(19)15-25)31-24-10-6-22-16-26(12-8-20(22)14-24)33-28(30)18(3)4;21-17-5-1-15-11-19(7-3-13(15)9-17)23-20-8-4-14-10-18(22)6-2-16(14)12-20;1-4-7(5-2)6-3;1-3(2)4(5)6;/h5-16H,1,3H2,2,4H3;1-12,21-22H;4-6H2,1-3H3;1H2,2H3;1H4
InChIKeySBWCKNKVXUAHHT-UHFFFAOYSA-N
XLogP15.26
TPSA131.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.58
LogP ≤ 515.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
CID 59524626
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
6-prop-1-en-2-yloxynaphthalen-2-ol
CID 58445580
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
[6-[N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58520173
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
CID 123192484

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate (CID 160791360) is N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate is C.C=C(C)C(=O)Cl.C=C(C)C(=O)Oc1ccc2cc(Oc3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1.CCN(CC)CC.Oc1ccc2cc(Oc3ccc4cc(O)ccc4c3)ccc2c1.
What is the InChIKey of N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is SBWCKNKVXUAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O5.C20H14O3.C6H15N.C4H5ClO.CH4/c1-17(2)27(29)32-25-11-7-19-13-23(9-5-21(19)15-25)31-24-10-6-22-16-26(12-8-20(22)14-24)33-28(30)18(3)4;21-17-5-1-15-11-19(7-3-13(15)9-17)23-20-8-4-14-10-18(22)6-2-16(14)12-20;1-4-7(5-2)6-3;1-3(2)4(5)6;/h5-16H,1,3H2,2,4H3;1-12,21-22H;4-6H2,1-3H3;1H2,2H3;1H4.
What are the key properties of N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate?
N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 962.58 g/mol, XLogP of 15.26, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 160791360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).