[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten

C14H22W — CID 171729999

IUPAC[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten
SMILESCC(C)(C)C(=[W])C1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C14H22.W/c1-13(2,3)10-11-7-8-12(9-11)14(4,5)6;/h7-8H,9H2,1-6H3;
InChIKeyYHCUZLNLOYABKL-UHFFFAOYSA-N
MW374.17 g/mol
LogP4.05
Rot. Bonds1

About [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten

[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten (PubChem CID 171729999) has the molecular formula C14H22W and a molecular weight of 374.17 g/mol. Its IUPAC name is [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten.

Molecular Properties

Compound Name[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten
PubChem CID171729999
Molecular FormulaC14H22W
Molecular Weight374.17 g/mol
Exact Mass374.12
IUPAC Name[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten
SMILESCC(C)(C)C(=[W])C1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C14H22.W/c1-13(2,3)10-11-7-8-12(9-11)14(4,5)6;/h7-8H,9H2,1-6H3;
InChIKeyYHCUZLNLOYABKL-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[1-(4-tert-butylcyclopenten-1-yl)-2,2-dimethylpropylidene]tungsten
CID 171730033
(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane
CID 143856298
1-tert-butyl-4-iodocyclohexa-1,3-diene
CID 70804776
(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene
CID 59251609
1,4-ditert-butylbenzene;1,4-ditert-butylcyclopenta-1,3-diene;2,5-ditert-butyl-1,4-dihydropentalene
CID 159432157
1-tert-butyl-4-(4-tert-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 91433632
1,4-ditert-butyl-5-methylcyclohexa-1,3-diene
CID 174004758
(4-tert-butylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone
CID 167073113
2-(4-tert-butylcyclohexa-1,3-dien-1-yl)propane-2-thiol
CID 91006508
1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene
CID 21048518
1-tert-butyl-4-(2,2,2-trifluoroethoxy)cyclopenta-1,3-diene
CID 158556333
1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 153499449

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten?
The IUPAC name of [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten (CID 171729999) is [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten.
What is the SMILES notation for [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten?
The canonical SMILES for [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten is CC(C)(C)C(=[W])C1=CC=C(C(C)(C)C)C1.
What is the InChIKey of [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten?
The InChIKey is YHCUZLNLOYABKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.W/c1-13(2,3)10-11-7-8-12(9-11)14(4,5)6;/h7-8H,9H2,1-6H3;.
What are the key properties of [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten?
[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten has a molecular weight of 374.17 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten is sourced from PubChem (CID 171729999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).