dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)

C22H26MoN2O6 — CID 11752543

IUPACdioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)
SMILESCC[C@@H]1CO/C(=C2\C=CC=CC2=O)N1.CC[C@@H]1CO/C(=C2\C=CC=CC2=O)N1.O=[Mo]=O
InChIInChI=1S/2C11H13NO2.Mo.2O/c2*1-2-8-7-14-11(12-8)9-5-3-4-6-10(9)13;;;/h2*3-6,8,12H,2,7H2,1H3;;;/b2*11-9+;;;/t2*8-;;;/m11.../s1
InChIKeyOOJVNZAFOLJDNB-JNJNOHFFSA-N
MW510.40 g/mol
LogP2.34
Rot. Bonds2

About dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)

dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 11752543) has the molecular formula C22H26MoN2O6 and a molecular weight of 510.40 g/mol. Its IUPAC name is dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namedioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)
PubChem CID11752543
Molecular FormulaC22H26MoN2O6
Molecular Weight510.40 g/mol
Exact Mass512.08
IUPAC Namedioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)
SMILESCC[C@@H]1CO/C(=C2\C=CC=CC2=O)N1.CC[C@@H]1CO/C(=C2\C=CC=CC2=O)N1.O=[Mo]=O
InChIInChI=1S/2C11H13NO2.Mo.2O/c2*1-2-8-7-14-11(12-8)9-5-3-4-6-10(9)13;;;/h2*3-6,8,12H,2,7H2,1H3;;;/b2*11-9+;;;/t2*8-;;;/m11.../s1
InChIKeyOOJVNZAFOLJDNB-JNJNOHFFSA-N
XLogP2.34
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) (CID 11752543) is dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) is CC[C@@H]1CO/C(=C2\C=CC=CC2=O)N1.CC[C@@H]1CO/C(=C2\C=CC=CC2=O)N1.O=[Mo]=O.
What is the InChIKey of dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is OOJVNZAFOLJDNB-JNJNOHFFSA-N. The full InChI is InChI=1S/2C11H13NO2.Mo.2O/c2*1-2-8-7-14-11(12-8)9-5-3-4-6-10(9)13;;;/h2*3-6,8,12H,2,7H2,1H3;;;/b2*11-9+;;;/t2*8-;;;/m11.../s1.
What are the key properties of dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 510.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomolybdenum;bis((6E)-6-[(4R)-4-ethyl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 11752543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).