carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten

C17H16O7W — CID 135004187

IUPACcarbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
SMILESC=C(C)C1=C(C(=[W])OC)C2OCCCC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H16O2.5CO.W/c1-8(2)11-9-5-4-6-14-12(9)10(11)7-13-3;5*1-2;/h9,12H,1,4-6H2,2-3H3;;;;;;
InChIKeyYTUJWSWEUUGHJW-UHFFFAOYSA-N
MW516.15 g/mol
LogP1.80
Rot. Bonds3

About carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten

carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten (PubChem CID 135004187) has the molecular formula C17H16O7W and a molecular weight of 516.15 g/mol. Its IUPAC name is carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
PubChem CID135004187
Molecular FormulaC17H16O7W
Molecular Weight516.15 g/mol
Exact Mass516.04
IUPAC Namecarbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
SMILESC=C(C)C1=C(C(=[W])OC)C2OCCCC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H16O2.5CO.W/c1-8(2)11-9-5-4-6-14-12(9)10(11)7-13-3;5*1-2;/h9,12H,1,4-6H2,2-3H3;;;;;;
InChIKeyYTUJWSWEUUGHJW-UHFFFAOYSA-N
XLogP1.80
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 135002842
Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135002843
carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102473
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 135002848
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxane
CID 21647325
2-[(2E,4E)-8-methoxy-3-methyl-6-propoxynona-2,4-dienyl]-3,5,6-trimethyloxane
CID 134550327
(2S,3S,6R)-2-[(2E,4E,6S)-8-methoxy-3-methyl-6-propoxyocta-2,4-dienyl]-3,6-dimethyloxane
CID 134550340
(2S)-4-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxane
CID 138624051
2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane
CID 145231683
(2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane
CID 173352389

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten?
The IUPAC name of carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten (CID 135004187) is carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten.
What is the SMILES notation for carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten?
The canonical SMILES for carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten is C=C(C)C1=C(C(=[W])OC)C2OCCCC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten?
The InChIKey is YTUJWSWEUUGHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.5CO.W/c1-8(2)11-9-5-4-6-14-12(9)10(11)7-13-3;5*1-2;/h9,12H,1,4-6H2,2-3H3;;;;;;.
What are the key properties of carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten?
carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten has a molecular weight of 516.15 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten is sourced from PubChem (CID 135004187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).