hepta-2,5-diene;rhodium

C7H12Rh — CID 159015179

IUPAChepta-2,5-diene;rhodium
SMILESCC=CCC=CC.[Rh]
InChIInChI=1S/C7H12.Rh/c1-3-5-7-6-4-2;/h3-6H,7H2,1-2H3;
InChIKeyJSZNFRAJPJTDDP-UHFFFAOYSA-N
MW199.08 g/mol
LogP2.53
Rot. Bonds2

About hepta-2,5-diene;rhodium

hepta-2,5-diene;rhodium (PubChem CID 159015179) has the molecular formula C7H12Rh and a molecular weight of 199.08 g/mol. Its IUPAC name is hepta-2,5-diene;rhodium.

Molecular Properties

Compound Namehepta-2,5-diene;rhodium
PubChem CID159015179
Molecular FormulaC7H12Rh
Molecular Weight199.08 g/mol
Exact Mass199.00
IUPAC Namehepta-2,5-diene;rhodium
SMILESCC=CCC=CC.[Rh]
InChIInChI=1S/C7H12.Rh/c1-3-5-7-6-4-2;/h3-6H,7H2,1-2H3;
InChIKeyJSZNFRAJPJTDDP-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
(4E)-1-chlorohexa-1,4-diene
CID 57257256
hexa-1,4-diene
CID 163631115
magnesium;(2E,5E)-octa-2,5-diene;bromide
CID 15173349
1-aminophosphanylhexa-1,4-diene
CID 57082730
octa-3,6-diene-1-thiol
CID 54552992
hexa-1,4-diene;hydrate
CID 162019515
(4Z,7Z)-2-methylnona-2,4,7-triene
CID 144748240
ethane;methane;(3Z,6Z)-octa-1,3,6-triene
CID 144530940
(3Z,5Z,8E)-deca-1,3,5,8-tetraene
CID 143634043
(3E,5E,8E)-deca-1,3,5,8-tetraene
CID 57189685
(2E,5E)-deca-2,5-diene
CID 6429648

Frequently Asked Questions

What is the IUPAC name of hepta-2,5-diene;rhodium?
The IUPAC name of hepta-2,5-diene;rhodium (CID 159015179) is hepta-2,5-diene;rhodium.
What is the SMILES notation for hepta-2,5-diene;rhodium?
The canonical SMILES for hepta-2,5-diene;rhodium is CC=CCC=CC.[Rh].
What is the InChIKey of hepta-2,5-diene;rhodium?
The InChIKey is JSZNFRAJPJTDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.Rh/c1-3-5-7-6-4-2;/h3-6H,7H2,1-2H3;.
What are the key properties of hepta-2,5-diene;rhodium?
hepta-2,5-diene;rhodium has a molecular weight of 199.08 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-2,5-diene;rhodium is sourced from PubChem (CID 159015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).