acetic acid;cycloocta-1,3-diene;rhodium

C10H16O2Rh — CID 173076417

IUPACacetic acid;cycloocta-1,3-diene;rhodium
SMILESC1=CCCCCC=C1.CC(=O)O.[Rh]
InChIInChI=1S/C8H12.C2H4O2.Rh/c1-2-4-6-8-7-5-3-1;1-2(3)4;/h1-4H,5-8H2;1H3,(H,3,4);
InChIKeySWDHBIJJTPUKJC-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.76
Rot. Bonds

About acetic acid;cycloocta-1,3-diene;rhodium

acetic acid;cycloocta-1,3-diene;rhodium (PubChem CID 173076417) has the molecular formula C10H16O2Rh and a molecular weight of 271.14 g/mol. Its IUPAC name is acetic acid;cycloocta-1,3-diene;rhodium.

Molecular Properties

Compound Nameacetic acid;cycloocta-1,3-diene;rhodium
PubChem CID173076417
Molecular FormulaC10H16O2Rh
Molecular Weight271.14 g/mol
Exact Mass271.02
IUPAC Nameacetic acid;cycloocta-1,3-diene;rhodium
SMILESC1=CCCCCC=C1.CC(=O)O.[Rh]
InChIInChI=1S/C8H12.C2H4O2.Rh/c1-2-4-6-8-7-5-3-1;1-2(3)4;/h1-4H,5-8H2;1H3,(H,3,4);
InChIKeySWDHBIJJTPUKJC-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;cyclohexene
CID 20501047
cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid
CID 77225013
(1E,3E)-cycloocta-1,3-diene
CID 6330372
acetic acid;bis(cyclopenta-1,3-diene)
CID 67827071
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 173020706
(1Z)-cyclononacosa-1,3-diene
CID 162365218
(1Z,3E,5E,7Z,9E)-cyclotetradeca-1,3,5,7,9-pentaene
CID 173043953
(1Z,3Z,5Z,7Z,9Z,11Z)-cyclohexadeca-1,3,5,7,9,11-hexaene
CID 172907233
cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91803237
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220

Frequently Asked Questions

What is the IUPAC name of acetic acid;cycloocta-1,3-diene;rhodium?
The IUPAC name of acetic acid;cycloocta-1,3-diene;rhodium (CID 173076417) is acetic acid;cycloocta-1,3-diene;rhodium.
What is the SMILES notation for acetic acid;cycloocta-1,3-diene;rhodium?
The canonical SMILES for acetic acid;cycloocta-1,3-diene;rhodium is C1=CCCCCC=C1.CC(=O)O.[Rh].
What is the InChIKey of acetic acid;cycloocta-1,3-diene;rhodium?
The InChIKey is SWDHBIJJTPUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C2H4O2.Rh/c1-2-4-6-8-7-5-3-1;1-2(3)4;/h1-4H,5-8H2;1H3,(H,3,4);.
What are the key properties of acetic acid;cycloocta-1,3-diene;rhodium?
acetic acid;cycloocta-1,3-diene;rhodium has a molecular weight of 271.14 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cycloocta-1,3-diene;rhodium is sourced from PubChem (CID 173076417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).