carbanide;1,3-dimethoxybenzene;rubidium(1+)

C9H13O2Rb — CID 160752391

IUPACcarbanide;1,3-dimethoxybenzene;rubidium(1+)
SMILESCOc1cccc(OC)c1.[CH3-].[Rb+]
InChIInChI=1S/C8H10O2.CH3.Rb/c1-9-7-4-3-5-8(6-7)10-2;;/h3-6H,1-2H3;1H3;/q;-1;+1
InChIKeyKWFLNRSONQSSKJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP-0.84
Rot. Bonds2

About carbanide;1,3-dimethoxybenzene;rubidium(1+)

carbanide;1,3-dimethoxybenzene;rubidium(1+) (PubChem CID 160752391) has the molecular formula C9H13O2Rb and a molecular weight of 238.67 g/mol. Its IUPAC name is carbanide;1,3-dimethoxybenzene;rubidium(1+).

Molecular Properties

Compound Namecarbanide;1,3-dimethoxybenzene;rubidium(1+)
PubChem CID160752391
Molecular FormulaC9H13O2Rb
Molecular Weight238.67 g/mol
Exact Mass238.00
IUPAC Namecarbanide;1,3-dimethoxybenzene;rubidium(1+)
SMILESCOc1cccc(OC)c1.[CH3-].[Rb+]
InChIInChI=1S/C8H10O2.CH3.Rb/c1-9-7-4-3-5-8(6-7)10-2;;/h3-6H,1-2H3;1H3;/q;-1;+1
InChIKeyKWFLNRSONQSSKJ-UHFFFAOYSA-N
XLogP-0.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 5-0.84
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

azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
CID 139245906
CID 139245906
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
CID 153354664
CID 153354664
CID 10458332
CID 10458332

Frequently Asked Questions

What is the IUPAC name of carbanide;1,3-dimethoxybenzene;rubidium(1+)?
The IUPAC name of carbanide;1,3-dimethoxybenzene;rubidium(1+) (CID 160752391) is carbanide;1,3-dimethoxybenzene;rubidium(1+).
What is the SMILES notation for carbanide;1,3-dimethoxybenzene;rubidium(1+)?
The canonical SMILES for carbanide;1,3-dimethoxybenzene;rubidium(1+) is COc1cccc(OC)c1.[CH3-].[Rb+].
What is the InChIKey of carbanide;1,3-dimethoxybenzene;rubidium(1+)?
The InChIKey is KWFLNRSONQSSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.CH3.Rb/c1-9-7-4-3-5-8(6-7)10-2;;/h3-6H,1-2H3;1H3;/q;-1;+1.
What are the key properties of carbanide;1,3-dimethoxybenzene;rubidium(1+)?
carbanide;1,3-dimethoxybenzene;rubidium(1+) has a molecular weight of 238.67 g/mol, XLogP of -0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,3-dimethoxybenzene;rubidium(1+) is sourced from PubChem (CID 160752391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).