acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)

C26H51O4OsP2 — CID 11468080

IUPACacetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)
SMILESC=[C-]C=C.CC(=O)O.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[Os+]
InChIInChI=1S/2C9H21P.C4H5.C2H4O2.2CO.Os/c2*1-7(2)10(8(3)4)9(5)6;1-3-4-2;1-2(3)4;2*1-2;/h2*7-9H,1-6H3;3H,1-2H2;1H3,(H,3,4);;;/q;;-1;;;;+1
InChIKeyKQVBQYPXDJIVHQ-UHFFFAOYSA-N
MW679.87 g/mol
LogP8.56
Rot. Bonds7

About acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)

acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane) (PubChem CID 11468080) has the molecular formula C26H51O4OsP2 and a molecular weight of 679.87 g/mol. Its IUPAC name is acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane).

Molecular Properties

Compound Nameacetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)
PubChem CID11468080
Molecular FormulaC26H51O4OsP2
Molecular Weight679.87 g/mol
Exact Mass681.29
IUPAC Nameacetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)
SMILESC=[C-]C=C.CC(=O)O.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[Os+]
InChIInChI=1S/2C9H21P.C4H5.C2H4O2.2CO.Os/c2*1-7(2)10(8(3)4)9(5)6;1-3-4-2;1-2(3)4;2*1-2;/h2*7-9H,1-6H3;3H,1-2H2;1H3,(H,3,4);;;/q;;-1;;;;+1
InChIKeyKQVBQYPXDJIVHQ-UHFFFAOYSA-N
XLogP8.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;osmium;bis(tri(propan-2-yl)phosphane)
CID 11444122
CID 11119654
CID 11119654
palladium;prop-1-ene;tri(propan-2-yl)phosphane
CID 87969772
acetic acid;but-1-ene
CID 88520349
2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate
CID 22335976
acetic acid;stibane
CID 173054099
acetic acid;stibane
CID 174267479
acetic acid;carbonic acid;prop-1-ene
CID 87718804
acetic acid;ethenethiol
CID 158183223
acetic acid;prop-2-enenitrile
CID 87100572
acetic acid;[bis(ethenyl)-methylsilyl]methanol
CID 71338828
acetic acid;2-methylbuta-1,3-diene
CID 162329319

Frequently Asked Questions

What is the IUPAC name of acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)?
The IUPAC name of acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane) (CID 11468080) is acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane).
What is the SMILES notation for acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)?
The canonical SMILES for acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane) is C=[C-]C=C.CC(=O)O.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[Os+].
What is the InChIKey of acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)?
The InChIKey is KQVBQYPXDJIVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21P.C4H5.C2H4O2.2CO.Os/c2*1-7(2)10(8(3)4)9(5)6;1-3-4-2;1-2(3)4;2*1-2;/h2*7-9H,1-6H3;3H,1-2H2;1H3,(H,3,4);;;/q;;-1;;;;+1.
What are the key properties of acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane)?
acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane) has a molecular weight of 679.87 g/mol, XLogP of 8.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;buta-1,3-diene;carbon monoxide;osmium(1+);bis(tri(propan-2-yl)phosphane) is sourced from PubChem (CID 11468080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).