[(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten

C12H11O3W- — CID 18728674

IUPAC[(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten
SMILES[H]/[C-]=C(/C=C\C=[W])c1c(OC(C)C)c(=O)c1=O
InChIInChI=1S/C12H11O3.W/c1-5-6-8(4)9-10(13)11(14)12(9)15-7(2)3;/h1,4-7H,2-3H3;/q-1;/b6-5-;
InChIKeyMRDNXJBRKJHEFM-YSMBQZINSA-N
MW387.06 g/mol
LogP0.79
Rot. Bonds5

About [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten

[(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten (PubChem CID 18728674) has the molecular formula C12H11O3W- and a molecular weight of 387.06 g/mol. Its IUPAC name is [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten
PubChem CID18728674
Molecular FormulaC12H11O3W-
Molecular Weight387.06 g/mol
Exact Mass387.02
IUPAC Name[(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten
SMILES[H]/[C-]=C(/C=C\C=[W])c1c(OC(C)C)c(=O)c1=O
InChIInChI=1S/C12H11O3.W/c1-5-6-8(4)9-10(13)11(14)12(9)15-7(2)3;/h1,4-7H,2-3H3;/q-1;/b6-5-;
InChIKeyMRDNXJBRKJHEFM-YSMBQZINSA-N
XLogP0.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.06
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten with MolForge

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Related Compounds

3,8-Dihydro-2-methylchromone
CID 129830590
3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione
CID 134977798
3-Ethenyl-4-ethoxycyclobut-3-ene-1,2-dione
CID 15185750
[(2Z)-4-[(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)methyl]penta-2,4-dienylidene]tungsten
CID 18728676
[(2Z,5E)-6-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)-4-methanidylidenehexa-2,5-dienylidene]tungsten
CID 18728678
3-Butoxy-4-(pyran-4-ylidenemethyl)cyclobut-3-ene-1,2-dione
CID 88328229
3-Butoxy-4-ethenylcyclobut-3-ene-1,2-dione
CID 89960785
3-Ethenyl-4-propan-2-yloxycyclobut-3-ene-1,2-dione
CID 101036814
3-Ethoxy-4-prop-1-en-2-ylcyclobut-3-ene-1,2-dione
CID 170564556
3-propan-2-yloxy-4-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-3-ene-1,2-dione
CID 10611512
3-propan-2-yloxy-4-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-3-ene-1,2-dione
CID 10682919
3-[(Z)-2-ethylhex-1-enyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione
CID 11107767

Frequently Asked Questions

What is the IUPAC name of [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten (CID 18728674) is [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten is [H]/[C-]=C(/C=C\C=[W])c1c(OC(C)C)c(=O)c1=O.
What is the InChIKey of [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten?
The InChIKey is MRDNXJBRKJHEFM-YSMBQZINSA-N. The full InChI is InChI=1S/C12H11O3.W/c1-5-6-8(4)9-10(13)11(14)12(9)15-7(2)3;/h1,4-7H,2-3H3;/q-1;/b6-5-;.
What are the key properties of [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten?
[(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten has a molecular weight of 387.06 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-4-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)penta-2,4-dienylidene]tungsten is sourced from PubChem (CID 18728674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).