1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)

C11H12W — CID 177172358

IUPAC1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)
SMILES[H]/[C-]=C/c1[c-]ccc(C(C)C)c1.[W+2]
InChIInChI=1S/C11H12.W/c1-4-10-6-5-7-11(8-10)9(2)3;/h1,4-5,7-9H,2-3H3;/q-2;+2
InChIKeyOCAWWRBNZLMFFK-UHFFFAOYSA-N
MW328.06 g/mol
LogP3.05
Rot. Bonds2

About 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)

1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+) (PubChem CID 177172358) has the molecular formula C11H12W and a molecular weight of 328.06 g/mol. Its IUPAC name is 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+).

Molecular Properties

Compound Name1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)
PubChem CID177172358
Molecular FormulaC11H12W
Molecular Weight328.06 g/mol
Exact Mass328.04
IUPAC Name1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)
SMILES[H]/[C-]=C/c1[c-]ccc(C(C)C)c1.[W+2]
InChIInChI=1S/C11H12.W/c1-4-10-6-5-7-11(8-10)9(2)3;/h1,4-5,7-9H,2-3H3;/q-2;+2
InChIKeyOCAWWRBNZLMFFK-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)
CID 154556358
lithium propan-2-ylbenzene
CID 13144758
propan-2-ylbenzene;tungsten
CID 58901967
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
2,9-di(propan-2-yl)pentacene
CID 153380534
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2,6,8,12-tetra(propan-2-yl)chrysene
CID 164832540
carbanide;ethane;methane;propan-2-ylbenzene;yttrium
CID 160657951
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)?
The IUPAC name of 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+) (CID 177172358) is 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+).
What is the SMILES notation for 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)?
The canonical SMILES for 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+) is [H]/[C-]=C/c1[c-]ccc(C(C)C)c1.[W+2].
What is the InChIKey of 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)?
The InChIKey is OCAWWRBNZLMFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.W/c1-4-10-6-5-7-11(8-10)9(2)3;/h1,4-5,7-9H,2-3H3;/q-2;+2.
What are the key properties of 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)?
1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+) has a molecular weight of 328.06 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+) is sourced from PubChem (CID 177172358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).