deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane

C13H38N2O4 — CID 160777115

IUPACdeuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane
SMILESCCC.CCC(OC)OC.CCC(OC)OC.NN.[H][2H]
InChIInChI=1S/2C5H12O2.C3H8.H4N2.H2/c2*1-4-5(6-2)7-3;1-3-2;1-2;/h2*5H,4H2,1-3H3;3H2,1-2H3;1-2H2;1H/i;;;;1+1
InChIKeySACAGTSZYXHTOV-RCUQKECRSA-N
MW287.46 g/mol
LogP2.51
Rot. Bonds6

About deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane

deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane (PubChem CID 160777115) has the molecular formula C13H38N2O4 and a molecular weight of 287.46 g/mol. Its IUPAC name is deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane.

Molecular Properties

Compound Namedeuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane
PubChem CID160777115
Molecular FormulaC13H38N2O4
Molecular Weight287.46 g/mol
Exact Mass287.29
IUPAC Namedeuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane
SMILESCCC.CCC(OC)OC.CCC(OC)OC.NN.[H][2H]
InChIInChI=1S/2C5H12O2.C3H8.H4N2.H2/c2*1-4-5(6-2)7-3;1-3-2;1-2;/h2*5H,4H2,1-3H3;3H2,1-2H3;1-2H2;1H/i;;;;1+1
InChIKeySACAGTSZYXHTOV-RCUQKECRSA-N
XLogP2.51
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxypropoxy)ethanamine
CID 147503736
1,1-dimethoxypropane;toluene
CID 91421331
1-methoxy-1-(2-methoxyethoxy)propane
CID 139725364
tris(1-methoxypropoxy)-methylsilane
CID 18954126
1-methoxy-1-propoxypropane
CID 19963975
1-methoxypropoxy(pentan-3-yl)silane
CID 175054785
1-methoxypropoxy(propan-2-yl)silane
CID 175050106
3-[2-(1-methoxypropoxy)ethylsilyl]propan-1-amine
CID 174968471
1,1-dimethoxypentan-3-ylsilane
CID 174743035
O-(1-methoxybutyl)hydroxylamine
CID 143289201
2,2-dimethoxyethyl(dimethyl)sulfanium
CID 154071662
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane?
The IUPAC name of deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane (CID 160777115) is deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane.
What is the SMILES notation for deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane?
The canonical SMILES for deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane is CCC.CCC(OC)OC.CCC(OC)OC.NN.[H][2H].
What is the InChIKey of deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane?
The InChIKey is SACAGTSZYXHTOV-RCUQKECRSA-N. The full InChI is InChI=1S/2C5H12O2.C3H8.H4N2.H2/c2*1-4-5(6-2)7-3;1-3-2;1-2;/h2*5H,4H2,1-3H3;3H2,1-2H3;1-2H2;1H/i;;;;1+1.
What are the key properties of deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane?
deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane has a molecular weight of 287.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane is sourced from PubChem (CID 160777115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).