1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium

C14H21O2Rh- — CID 158159878

IUPAC1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium
SMILESC.CC(=O)COc1[c-]cc(C(C)(C)C)cc1.[Rh]
InChIInChI=1S/C13H17O2.CH4.Rh/c1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;;/h5-7H,9H2,1-4H3;1H4;/q-1;;
InChIKeyJOXQGFUKPRVIRH-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium

1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium (PubChem CID 158159878) has the molecular formula C14H21O2Rh- and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium.

Molecular Properties

Compound Name1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium
PubChem CID158159878
Molecular FormulaC14H21O2Rh-
Molecular Weight324.23 g/mol
Exact Mass324.06
IUPAC Name1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium
SMILESC.CC(=O)COc1[c-]cc(C(C)(C)C)cc1.[Rh]
InChIInChI=1S/C13H17O2.CH4.Rh/c1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;;/h5-7H,9H2,1-4H3;1H4;/q-1;;
InChIKeyJOXQGFUKPRVIRH-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-methyl-6-(3-methyl-2H-pyran-6-yl)hept-3-en-2-one
CID 13173661
1-Cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
1-(4-Tert-butylbenzene-6-id-1-yl)oxypropan-2-one;rhodium
CID 58700455
1-(3,5-Dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
CID 58711671
Carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
CID 59905131
2-(4-Tert-butylcyclohexa-2,4-dien-1-yl)oxyacetaldehyde
CID 88858216
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-(3-methylcyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 142155175
1-(Cyclohexa-1,5-dien-1-ylmethoxy)propan-2-one
CID 142482257
1-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 143537901
1-Cyclohexa-1,5-dien-1-yloxy-3,3-dimethylbutan-2-one
CID 146424589
1-(4-Methylidenecyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 151524947
1-(4-Tert-butylcyclohexa-2,4-dien-1-yl)oxypropan-2-one
CID 161241251

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium?
The IUPAC name of 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium (CID 158159878) is 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium.
What is the SMILES notation for 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium?
The canonical SMILES for 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium is C.CC(=O)COc1[c-]cc(C(C)(C)C)cc1.[Rh].
What is the InChIKey of 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium?
The InChIKey is JOXQGFUKPRVIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2.CH4.Rh/c1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;;/h5-7H,9H2,1-4H3;1H4;/q-1;;.
What are the key properties of 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium?
1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium has a molecular weight of 324.23 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium is sourced from PubChem (CID 158159878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).