carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]

C13H10CrO5+6 — CID 11986145

IUPACcarbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6].c1ccc2c(c1)CC21OCCO1
InChIInChI=1S/C10H10O2.3CO.Cr/c1-2-4-9-8(3-1)7-10(9)11-5-6-12-10;3*1-2;/h1-4H,5-7H2;;;;/q;;;;+6
InChIKeyXRZIUGYNTBWWTD-UHFFFAOYSA-N
MW298.21 g/mol
LogP1.33
Rot. Bonds

About carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]

carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene] (PubChem CID 11986145) has the molecular formula C13H10CrO5+6 and a molecular weight of 298.21 g/mol. Its IUPAC name is carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene].

Molecular Properties

Compound Namecarbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
PubChem CID11986145
Molecular FormulaC13H10CrO5+6
Molecular Weight298.21 g/mol
Exact Mass297.99
IUPAC Namecarbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6].c1ccc2c(c1)CC21OCCO1
InChIInChI=1S/C10H10O2.3CO.Cr/c1-2-4-9-8(3-1)7-10(9)11-5-6-12-10;3*1-2;/h1-4H,5-7H2;;;;/q;;;;+6
InChIKeyXRZIUGYNTBWWTD-UHFFFAOYSA-N
XLogP1.33
TPSA78.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 51.33
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

spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703604
CID 11673102
CID 11673102
spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]
CID 102594947
(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol
CID 51028831
7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
CID 168862881
3'-iodospiro[1,3-dioxolane-2,1'-indene]
CID 138965819
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]
CID 10749210
spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one
CID 15194336
2-(2-bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 101167605
2-(2-iodophenyl)-2-methyl-1,3-dioxolane
CID 5028728

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
The IUPAC name of carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene] (CID 11986145) is carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene].
What is the SMILES notation for carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
The canonical SMILES for carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene] is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6].c1ccc2c(c1)CC21OCCO1.
What is the InChIKey of carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
The InChIKey is XRZIUGYNTBWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.3CO.Cr/c1-2-4-9-8(3-1)7-10(9)11-5-6-12-10;3*1-2;/h1-4H,5-7H2;;;;/q;;;;+6.
What are the key properties of carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene] has a molecular weight of 298.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene] is sourced from PubChem (CID 11986145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).