[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide

C17H16CrO10 — CID 14327199

IUPAC[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide
SMILESCOCOc1ccc(OCOC)c(C(=[Cr])OC)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H16O5.5CO.Cr/c1-13-7-10-6-11(16-8-14-2)4-5-12(10)17-9-15-3;5*1-2;/h4-6H,8-9H2,1-3H3;;;;;;
InChIKeyJOVQDHRZBBHAON-UHFFFAOYSA-N
MW432.30 g/mol
LogP1.14
Rot. Bonds8

About [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide

[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide (PubChem CID 14327199) has the molecular formula C17H16CrO10 and a molecular weight of 432.30 g/mol. Its IUPAC name is [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide.

Molecular Properties

Compound Name[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide
PubChem CID14327199
Molecular FormulaC17H16CrO10
Molecular Weight432.30 g/mol
Exact Mass432.01
IUPAC Name[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide
SMILESCOCOc1ccc(OCOC)c(C(=[Cr])OC)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H16O5.5CO.Cr/c1-13-7-10-6-11(16-8-14-2)4-5-12(10)17-9-15-3;5*1-2;/h4-6H,8-9H2,1-3H3;;;;;;
InChIKeyJOVQDHRZBBHAON-UHFFFAOYSA-N
XLogP1.14
TPSA145.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate
CID 146188956
disodium;4-(methoxymethoxy)phthalate
CID 131725674
(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone
CID 68911946
1,4-bis(methoxymethoxy)benzene
CID 542643
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
methyl 5-amino-2-(methoxymethoxy)benzoate
CID 106955744
ethane;methyl 5-(2-bromoacetyl)-2-(methoxymethoxy)-4-methylbenzoate
CID 144541857
methyl 3-[2,4-bis(methoxymethoxy)phenyl]prop-2-ynoate
CID 134859376
[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid
CID 141056028
1-[5-iodo-2,4-bis(methoxymethoxy)phenyl]ethanone
CID 102126873
methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
CID 172804788
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398

Frequently Asked Questions

What is the IUPAC name of [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide?
The IUPAC name of [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide (CID 14327199) is [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide.
What is the SMILES notation for [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide?
The canonical SMILES for [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide is COCOc1ccc(OCOC)c(C(=[Cr])OC)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide?
The InChIKey is JOVQDHRZBBHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5.5CO.Cr/c1-13-7-10-6-11(16-8-14-2)4-5-12(10)17-9-15-3;5*1-2;/h4-6H,8-9H2,1-3H3;;;;;;.
What are the key properties of [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide?
[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide has a molecular weight of 432.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide is sourced from PubChem (CID 14327199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).