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

C30H42W — CID 158118772

IUPAC1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten
SMILESC1=Cc2ccccc2CC1.CC(C)(C)C.CC(C)(C)C.[W]=C1C=Cc2ccccc2C1
InChIInChI=1S/C10H10.C10H8.2C5H12.W/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;/h1-3,5-7H,4,8H2;1-3,5-7H,8H2;2*1-4H3;
InChIKeyDKGYRCYNZANFAN-UHFFFAOYSA-N
MW586.51 g/mol
LogP8.73
Rot. Bonds

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

1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten (PubChem CID 158118772) has the molecular formula C30H42W and a molecular weight of 586.51 g/mol. Its IUPAC name is 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten.

Molecular Properties

Compound Name1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten
PubChem CID158118772
Molecular FormulaC30H42W
Molecular Weight586.51 g/mol
Exact Mass586.28
IUPAC Name1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten
SMILESC1=Cc2ccccc2CC1.CC(C)(C)C.CC(C)(C)C.[W]=C1C=Cc2ccccc2C1
InChIInChI=1S/C10H10.C10H8.2C5H12.W/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;/h1-3,5-7H,4,8H2;1-3,5-7H,8H2;2*1-4H3;
InChIKeyDKGYRCYNZANFAN-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.51
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane
CID 159374922
bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten
CID 158455985
1,2-dihydronaphthalene
CID 161389674
1,2-dihydronaphthalene
CID 9938
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2,2-dimethylpropane;1H-indene
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(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
CID 134982097
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
1,2-dihydronaphthalene;1,3-thiazole
CID 68836302
(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 145199366

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten?
The IUPAC name of 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten (CID 158118772) is 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten.
What is the SMILES notation for 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten?
The canonical SMILES for 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten is C1=Cc2ccccc2CC1.CC(C)(C)C.CC(C)(C)C.[W]=C1C=Cc2ccccc2C1.
What is the InChIKey of 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten?
The InChIKey is DKGYRCYNZANFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C10H8.2C5H12.W/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;/h1-3,5-7H,4,8H2;1-3,5-7H,8H2;2*1-4H3;.
What are the key properties of 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten?
1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten has a molecular weight of 586.51 g/mol, XLogP of 8.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten is sourced from PubChem (CID 158118772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).