ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)

C44H56O2W — CID 59872051

IUPACethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)
SMILESCCOC1CC[CH-]CC1.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C#Cc3c(C)c(C)[c-]c(C)c3C)c(C)c2C)c(C)c1C.[W+2]
InChIInChI=1S/C36H41O.C8H15O.W/c1-14-37-36-30(12)28(10)35(29(11)31(36)13)18-17-34-26(8)24(6)33(25(7)27(34)9)16-15-32-22(4)20(2)19-21(3)23(32)5;1-2-9-8-6-4-3-5-7-8;/h14H2,1-13H3;3,8H,2,4-7H2,1H3;/q2*-1;+2
InChIKeySNXWZRHXJZTUDG-UHFFFAOYSA-N
MW800.77 g/mol
LogP10.55
Rot. Bonds4

About ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)

ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+) (PubChem CID 59872051) has the molecular formula C44H56O2W and a molecular weight of 800.77 g/mol. Its IUPAC name is ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+).

Molecular Properties

Compound Nameethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)
PubChem CID59872051
Molecular FormulaC44H56O2W
Molecular Weight800.77 g/mol
Exact Mass800.38
IUPAC Nameethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)
SMILESCCOC1CC[CH-]CC1.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C#Cc3c(C)c(C)[c-]c(C)c3C)c(C)c2C)c(C)c1C.[W+2]
InChIInChI=1S/C36H41O.C8H15O.W/c1-14-37-36-30(12)28(10)35(29(11)31(36)13)18-17-34-26(8)24(6)33(25(7)27(34)9)16-15-32-22(4)20(2)19-21(3)23(32)5;1-2-9-8-6-4-3-5-7-8;/h14H2,1-13H3;3,8H,2,4-7H2,1H3;/q2*-1;+2
InChIKeySNXWZRHXJZTUDG-UHFFFAOYSA-N
XLogP10.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.77
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)?
The IUPAC name of ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+) (CID 59872051) is ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+).
What is the SMILES notation for ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)?
The canonical SMILES for ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+) is CCOC1CC[CH-]CC1.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C#Cc3c(C)c(C)[c-]c(C)c3C)c(C)c2C)c(C)c1C.[W+2].
What is the InChIKey of ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)?
The InChIKey is SNXWZRHXJZTUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41O.C8H15O.W/c1-14-37-36-30(12)28(10)35(29(11)31(36)13)18-17-34-26(8)24(6)33(25(7)27(34)9)16-15-32-22(4)20(2)19-21(3)23(32)5;1-2-9-8-6-4-3-5-7-8;/h14H2,1-13H3;3,8H,2,4-7H2,1H3;/q2*-1;+2.
What are the key properties of ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+)?
ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+) has a molecular weight of 800.77 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclohexane;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;tungsten(2+) is sourced from PubChem (CID 59872051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).