dimethyl(oxo)phosphanium;hexylcyclobutane

C12H26OP+ — CID 173138999

IUPACdimethyl(oxo)phosphanium;hexylcyclobutane
SMILESCCCCCCC1CCC1.C[P+](C)=O
InChIInChI=1S/C10H20.C2H6OP/c1-2-3-4-5-7-10-8-6-9-10;1-4(2)3/h10H,2-9H2,1H3;1-2H3/q;+1
InChIKeyRUCPYBWYLHINAR-UHFFFAOYSA-N
MW217.31 g/mol
LogP4.83
Rot. Bonds5

About dimethyl(oxo)phosphanium;hexylcyclobutane

dimethyl(oxo)phosphanium;hexylcyclobutane (PubChem CID 173138999) has the molecular formula C12H26OP+ and a molecular weight of 217.31 g/mol. Its IUPAC name is dimethyl(oxo)phosphanium;hexylcyclobutane.

Molecular Properties

Compound Namedimethyl(oxo)phosphanium;hexylcyclobutane
PubChem CID173138999
Molecular FormulaC12H26OP+
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namedimethyl(oxo)phosphanium;hexylcyclobutane
SMILESCCCCCCC1CCC1.C[P+](C)=O
InChIInChI=1S/C10H20.C2H6OP/c1-2-3-4-5-7-10-8-6-9-10;1-4(2)3/h10H,2-9H2,1H3;1-2H3/q;+1
InChIKeyRUCPYBWYLHINAR-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
1,3-diheptylcyclohexane
CID 19973333
azane;heptylcyclohexane
CID 121434222
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
disodium;dodecylcyclobutane;hydride;phosphoric acid
CID 174480309
hydrogen sulfite;octylcyclobutane
CID 146190362

Frequently Asked Questions

What is the IUPAC name of dimethyl(oxo)phosphanium;hexylcyclobutane?
The IUPAC name of dimethyl(oxo)phosphanium;hexylcyclobutane (CID 173138999) is dimethyl(oxo)phosphanium;hexylcyclobutane.
What is the SMILES notation for dimethyl(oxo)phosphanium;hexylcyclobutane?
The canonical SMILES for dimethyl(oxo)phosphanium;hexylcyclobutane is CCCCCCC1CCC1.C[P+](C)=O.
What is the InChIKey of dimethyl(oxo)phosphanium;hexylcyclobutane?
The InChIKey is RUCPYBWYLHINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H6OP/c1-2-3-4-5-7-10-8-6-9-10;1-4(2)3/h10H,2-9H2,1H3;1-2H3/q;+1.
What are the key properties of dimethyl(oxo)phosphanium;hexylcyclobutane?
dimethyl(oxo)phosphanium;hexylcyclobutane has a molecular weight of 217.31 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxo)phosphanium;hexylcyclobutane is sourced from PubChem (CID 173138999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).