deuterium monohydride;3-methoxybutan-2-ol;phosphane

C5H17O2P — CID 157416424

IUPACdeuterium monohydride;3-methoxybutan-2-ol;phosphane
SMILESCOC(C)C(C)O.P.[H][2H]
InChIInChI=1S/C5H12O2.H3P.H2/c1-4(6)5(2)7-3;;/h4-6H,1-3H3;1H3;1H/i;;1+1
InChIKeyBOXAHEVUAWKGHQ-FCHARDOESA-N
MW141.17 g/mol
LogP0.71
Rot. Bonds2

About deuterium monohydride;3-methoxybutan-2-ol;phosphane

deuterium monohydride;3-methoxybutan-2-ol;phosphane (PubChem CID 157416424) has the molecular formula C5H17O2P and a molecular weight of 141.17 g/mol. Its IUPAC name is deuterium monohydride;3-methoxybutan-2-ol;phosphane.

Molecular Properties

Compound Namedeuterium monohydride;3-methoxybutan-2-ol;phosphane
PubChem CID157416424
Molecular FormulaC5H17O2P
Molecular Weight141.17 g/mol
Exact Mass141.10
IUPAC Namedeuterium monohydride;3-methoxybutan-2-ol;phosphane
SMILESCOC(C)C(C)O.P.[H][2H]
InChIInChI=1S/C5H12O2.H3P.H2/c1-4(6)5(2)7-3;;/h4-6H,1-3H3;1H3;1H/i;;1+1
InChIKeyBOXAHEVUAWKGHQ-FCHARDOESA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
3-hydroxy-4-methoxypentan-2-one
CID 100919894
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
CID 118920598
(2R,3S)-2-methoxypentan-3-ol
CID 13427568
(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
ethane;1-methoxyethanol
CID 157348595
2-ethyl-3-methoxybutanoic acid
CID 54291806
2-amino-3-hydroxy-4-methoxypentanoic acid
CID 131223230
2-(1-methoxyethyl)but-3-enoic acid
CID 20505768
5-hydroxy-6-methoxyheptan-3-one
CID 22372350

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;3-methoxybutan-2-ol;phosphane?
The IUPAC name of deuterium monohydride;3-methoxybutan-2-ol;phosphane (CID 157416424) is deuterium monohydride;3-methoxybutan-2-ol;phosphane.
What is the SMILES notation for deuterium monohydride;3-methoxybutan-2-ol;phosphane?
The canonical SMILES for deuterium monohydride;3-methoxybutan-2-ol;phosphane is COC(C)C(C)O.P.[H][2H].
What is the InChIKey of deuterium monohydride;3-methoxybutan-2-ol;phosphane?
The InChIKey is BOXAHEVUAWKGHQ-FCHARDOESA-N. The full InChI is InChI=1S/C5H12O2.H3P.H2/c1-4(6)5(2)7-3;;/h4-6H,1-3H3;1H3;1H/i;;1+1.
What are the key properties of deuterium monohydride;3-methoxybutan-2-ol;phosphane?
deuterium monohydride;3-methoxybutan-2-ol;phosphane has a molecular weight of 141.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;3-methoxybutan-2-ol;phosphane is sourced from PubChem (CID 157416424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).