bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten

C30H40W — CID 158455985

IUPACbis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten
SMILESCC(C)(C)C.CC(C)(C)C.[W]=C1C=Cc2ccccc2C1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.2C5H12.W/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;/h1-3,5-7H,8H2;1-8H;2*1-4H3;
InChIKeyZWUFPRFPGQVYSZ-UHFFFAOYSA-N
MW584.49 g/mol
LogP8.92
Rot. Bonds

About bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten

bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten (PubChem CID 158455985) has the molecular formula C30H40W and a molecular weight of 584.49 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten
PubChem CID158455985
Molecular FormulaC30H40W
Molecular Weight584.49 g/mol
Exact Mass584.26
IUPAC Namebis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten
SMILESCC(C)(C)C.CC(C)(C)C.[W]=C1C=Cc2ccccc2C1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.2C5H12.W/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;/h1-3,5-7H,8H2;1-8H;2*1-4H3;
InChIKeyZWUFPRFPGQVYSZ-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.49
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten?
The IUPAC name of bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten (CID 158455985) is bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten.
What is the SMILES notation for bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten?
The canonical SMILES for bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten is CC(C)(C)C.CC(C)(C)C.[W]=C1C=Cc2ccccc2C1.c1ccc2ccccc2c1.
What is the InChIKey of bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten?
The InChIKey is ZWUFPRFPGQVYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8.2C5H12.W/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;/h1-3,5-7H,8H2;1-8H;2*1-4H3;.
What are the key properties of bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten?
bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten has a molecular weight of 584.49 g/mol, XLogP of 8.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten is sourced from PubChem (CID 158455985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).