disodium;dodecylcyclobutane;hydride;phosphoric acid

C16H37Na2O4P — CID 174480309

IUPACdisodium;dodecylcyclobutane;hydride;phosphoric acid
SMILESCCCCCCCCCCCCC1CCC1.O=P(O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H32.2Na.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16;;;1-5(2,3)4;;/h16H,2-15H2,1H3;;;(H3,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyRNIJWNXLLYWLIZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP-0.60
Rot. Bonds11

About disodium;dodecylcyclobutane;hydride;phosphoric acid

disodium;dodecylcyclobutane;hydride;phosphoric acid (PubChem CID 174480309) has the molecular formula C16H37Na2O4P and a molecular weight of 370.42 g/mol. Its IUPAC name is disodium;dodecylcyclobutane;hydride;phosphoric acid.

Molecular Properties

Compound Namedisodium;dodecylcyclobutane;hydride;phosphoric acid
PubChem CID174480309
Molecular FormulaC16H37Na2O4P
Molecular Weight370.42 g/mol
Exact Mass370.22
IUPAC Namedisodium;dodecylcyclobutane;hydride;phosphoric acid
SMILESCCCCCCCCCCCCC1CCC1.O=P(O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H32.2Na.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16;;;1-5(2,3)4;;/h16H,2-15H2,1H3;;;(H3,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyRNIJWNXLLYWLIZ-UHFFFAOYSA-N
XLogP-0.60
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
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

dimethyl(oxo)phosphanium;hexylcyclobutane
CID 173138999
hydrogen sulfite;octylcyclobutane
CID 146190362
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
heptylcyclohexane;propan-2-one
CID 143570854
1,3-diheptylcyclohexane
CID 19973333
azane;heptylcyclohexane
CID 121434222
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of disodium;dodecylcyclobutane;hydride;phosphoric acid?
The IUPAC name of disodium;dodecylcyclobutane;hydride;phosphoric acid (CID 174480309) is disodium;dodecylcyclobutane;hydride;phosphoric acid.
What is the SMILES notation for disodium;dodecylcyclobutane;hydride;phosphoric acid?
The canonical SMILES for disodium;dodecylcyclobutane;hydride;phosphoric acid is CCCCCCCCCCCCC1CCC1.O=P(O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;dodecylcyclobutane;hydride;phosphoric acid?
The InChIKey is RNIJWNXLLYWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.2Na.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16;;;1-5(2,3)4;;/h16H,2-15H2,1H3;;;(H3,1,2,3,4);;/q;2*+1;;2*-1.
What are the key properties of disodium;dodecylcyclobutane;hydride;phosphoric acid?
disodium;dodecylcyclobutane;hydride;phosphoric acid has a molecular weight of 370.42 g/mol, XLogP of -0.60, 11 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dodecylcyclobutane;hydride;phosphoric acid is sourced from PubChem (CID 174480309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).