[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten

C21H26OW — CID 11135871

IUPAC[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=[W])c1ccc2ccccc2c1
InChIInChI=1S/C21H26O.W/c1-15(2)20-11-8-16(3)12-21(20)22-14-17-9-10-18-6-4-5-7-19(18)13-17;/h4-7,9-10,13,15-16,20-21H,8,11-12H2,1-3H3;/t16-,20+,21-;/m1./s1
InChIKeyUWOMRHHJNGSWHY-ORLCUPCUSA-N
MW478.28 g/mol
LogP5.34
Rot. Bonds4

About [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten

[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten (PubChem CID 11135871) has the molecular formula C21H26OW and a molecular weight of 478.28 g/mol. Its IUPAC name is [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten.

Molecular Properties

Compound Name[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
PubChem CID11135871
Molecular FormulaC21H26OW
Molecular Weight478.28 g/mol
Exact Mass478.15
IUPAC Name[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=[W])c1ccc2ccccc2c1
InChIInChI=1S/C21H26O.W/c1-15(2)20-11-8-16(3)12-21(20)22-14-17-9-10-18-6-4-5-7-19(18)13-17;/h4-7,9-10,13,15-16,20-21H,8,11-12H2,1-3H3;/t16-,20+,21-;/m1./s1
InChIKeyUWOMRHHJNGSWHY-ORLCUPCUSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.28
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten with MolForge

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Related Compounds

bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] naphthalene-2,3-dicarboxylate
CID 10390964
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate
CID 102076287
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
methyl 3-[3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylnaphthalen-2-yl]naphthalene-2-carboxylate
CID 58719298
N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine
CID 609279
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-(3-methylnaphthalen-2-yl)naphthalene-2-carboxylate
CID 59066733
carbon monoxide;[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylmethylidene]chromium
CID 10917101
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,5-dihydroxybenzoate
CID 101433355
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate
CID 2750811
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317

Frequently Asked Questions

What is the IUPAC name of [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten?
The IUPAC name of [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten (CID 11135871) is [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten.
What is the SMILES notation for [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten?
The canonical SMILES for [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=[W])c1ccc2ccccc2c1.
What is the InChIKey of [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten?
The InChIKey is UWOMRHHJNGSWHY-ORLCUPCUSA-N. The full InChI is InChI=1S/C21H26O.W/c1-15(2)20-11-8-16(3)12-21(20)22-14-17-9-10-18-6-4-5-7-19(18)13-17;/h4-7,9-10,13,15-16,20-21H,8,11-12H2,1-3H3;/t16-,20+,21-;/m1./s1.
What are the key properties of [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten?
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten has a molecular weight of 478.28 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten is sourced from PubChem (CID 11135871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).